3-(Deca-1,3-diyn-1-yl)benzoic acid
TL;DR: 3-(Deca-1,3-diyn-1-yl)benzoic acid (CAS 138966-48-0) is a chemical compound with molecular formula C17H18O2 and molecular weight 254.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-deca-1,3-diynylbenzoic acid
Also Known As: 3-deca-1,3-diynylbenzoic Acid, 3-(deca-1,3-diyn-1-yl)benzoic acid, 3-(1,3-Decadiyn-1-yl)benzoic acid, AB01324254-02
Technical Specifications
| Molecular Formula | C17H18O2 |
| Molecular Weight | 254.13068 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 254.13068 Da |
| Heavy Atoms | 19 |
| Complexity | 410.0 |
| SMILES | CCCCCCC#CC#CC1=CC(=CC=C1)C(=O)O |
| InChIKey | DWUVRQONHAOUPT-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Deca-1,3-diyn-1-yl)benzoic acid
Property Insights of 3-(Deca-1,3-diyn-1-yl)benzoic acid
The XLogP value of 5.2 indicates that 3-(Deca-1,3-diyn-1-yl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(Deca-1,3-diyn-1-yl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Deca-1,3-diyn-1-yl)benzoic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-(Deca-1,3-diyn-1-yl)benzoic acid?
The CAS number of 3-(Deca-1,3-diyn-1-yl)benzoic acid is 138966-48-0.
What is the molecular formula of 3-(Deca-1,3-diyn-1-yl)benzoic acid?
The molecular formula of 3-(Deca-1,3-diyn-1-yl)benzoic acid is C17H18O2.
What is the molecular weight of 3-(Deca-1,3-diyn-1-yl)benzoic acid?
The molecular weight of 3-(Deca-1,3-diyn-1-yl)benzoic acid is 254.13068 g/mol.
Where can I buy 3-(Deca-1,3-diyn-1-yl)benzoic acid?
You can request a quote for 3-(Deca-1,3-diyn-1-yl)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Deca-1,3-diyn-1-yl)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(Deca-1,3-diyn-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.