((4-Chlorophenyl)thio)acetic acid 9,12-dioxa-7-azaspiro(5.6)dodecane-7-methanol (1:1)
TL;DR: ((4-Chlorophenyl)thio)acetic acid 9,12-dioxa-7-azaspiro(5.6)dodecane-7-methanol (1:1) (CAS 105934-26-7) is a chemical compound with molecular formula C18H26ClNO5S and molecular weight 403.122 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chlorophenyl)sulfanylacetic acid;7,10-dioxa-12-azaspiro[5.6]dodecan-12-ylmethanol
Also Known As: ((4-Chlorophenyl)thio)acetic acid 9,12-dioxa-7-azaspiro(5.6)dodecane-7-methanol (1:1), Acetic acid, ((4-chlorophenyl)thio)-, compd. with 9,12-dioxa-7-azaspiro(5.6)dodecane-7-methanol (1:1), 2-(4-chlorophenyl)sulfanylacetic acid; 9,12-dioxa-7-azaspiro[5.6]dodecan-7-ylmethanol, [(4-Chlorophenyl)sulfanyl]acetic acid--(9,12-dioxa-7-azaspiro[5.6]dodecan-7-yl)methanol (1/1)
Technical Specifications
| Molecular Formula | C18H26ClNO5S |
| Molecular Weight | 403.122 g/mol |
| XLogP | 3.4196 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.122 Da |
| Heavy Atoms | 26 |
| Complexity | 335.0 |
| SMILES | C1CCC2(CC1)N(COCCO2)CO.C1=CC(=CC=C1SCC(=O)O)Cl |
| InChIKey | LGPUPDLCGAEXSB-UHFFFAOYSA-N |
Chemical Property Profile of ((4-Chlorophenyl)thio)acetic acid 9,12-dioxa-7-azaspiro(5.6)dodecane-7-methanol (1:1)
Property Insights of ((4-Chlorophenyl)thio)acetic acid 9,12-dioxa-7-azaspiro(5.6)dodecane-7-methanol (1:1)
The XLogP value of 3.4196 indicates that ((4-Chlorophenyl)thio)acetic acid 9,12-dioxa-7-azaspiro(5.6)dodecane-7-methanol (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ((4-Chlorophenyl)thio)acetic acid 9,12-dioxa-7-azaspiro(5.6)dodecane-7-methanol (1:1). Following Lipinski's Rule of Five, ((4-Chlorophenyl)thio)acetic acid 9,12-dioxa-7-azaspiro(5.6)dodecane-7-methanol (1:1) has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of ((4-Chlorophenyl)thio)acetic acid 9,12-dioxa-7-azaspiro(5.6)dodecane-7-methanol (1:1)?
The CAS number of ((4-Chlorophenyl)thio)acetic acid 9,12-dioxa-7-azaspiro(5.6)dodecane-7-methanol (1:1) is 105934-26-7.
What is the molecular formula of ((4-Chlorophenyl)thio)acetic acid 9,12-dioxa-7-azaspiro(5.6)dodecane-7-methanol (1:1)?
The molecular formula of ((4-Chlorophenyl)thio)acetic acid 9,12-dioxa-7-azaspiro(5.6)dodecane-7-methanol (1:1) is C18H26ClNO5S.
What is the molecular weight of ((4-Chlorophenyl)thio)acetic acid 9,12-dioxa-7-azaspiro(5.6)dodecane-7-methanol (1:1)?
The molecular weight of ((4-Chlorophenyl)thio)acetic acid 9,12-dioxa-7-azaspiro(5.6)dodecane-7-methanol (1:1) is 403.122 g/mol.
Where can I buy ((4-Chlorophenyl)thio)acetic acid 9,12-dioxa-7-azaspiro(5.6)dodecane-7-methanol (1:1)?
You can request a quote for ((4-Chlorophenyl)thio)acetic acid 9,12-dioxa-7-azaspiro(5.6)dodecane-7-methanol (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ((4-Chlorophenyl)thio)acetic acid 9,12-dioxa-7-azaspiro(5.6)dodecane-7-methanol (1:1)?
Yes, CoreyChem provides custom synthesis services for ((4-Chlorophenyl)thio)acetic acid 9,12-dioxa-7-azaspiro(5.6)dodecane-7-methanol (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.