C27H21ClN4O3S2
TL;DR: C27H21ClN4O3S2 (CAS 531537-72-1) is a chemical compound with molecular formula C27H21ClN4O3S2 and molecular weight 548.07434 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6Z)-3-benzylsulfanyl-6-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Also Known As: (6Z)-3-(benzylsulfanyl)-6-{4-[(2-chlorobenzyl)oxy]-3-methoxybenzylidene}-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one, (Z)-3-(benzylthio)-6-(4-((2-chlorobenzyl)oxy)-3-methoxybenzylidene)-5-imino-5H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7(6H)-one, (6Z)-3-benzylsulfanyl-6-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Technical Specifications
| Molecular Formula | C27H21ClN4O3S2 |
| Molecular Weight | 548.07434 g/mol |
| XLogP | 6.3 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 548.07434 Da |
| Heavy Atoms | 37 |
| Complexity | 952.0 |
| SMILES | COC1=C(C=CC(=C1)/C=C\2/C(=N)N3C(=NC2=O)SN=C3SCC4=CC=CC=C4)OCC5=CC=CC=C5Cl |
| InChIKey | CTWQTZOVOWUEJU-ATASTKJTSA-N |
Chemical Property Profile of C27H21ClN4O3S2
Property Insights of C27H21ClN4O3S2
The XLogP value of 6.3 indicates that C27H21ClN4O3S2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C27H21ClN4O3S2. Following Lipinski's Rule of Five, C27H21ClN4O3S2 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C27H21ClN4O3S2?
The CAS number of C27H21ClN4O3S2 is 531537-72-1.
What is the molecular formula of C27H21ClN4O3S2?
The molecular formula of C27H21ClN4O3S2 is C27H21ClN4O3S2.
What is the molecular weight of C27H21ClN4O3S2?
The molecular weight of C27H21ClN4O3S2 is 548.07434 g/mol.
Where can I buy C27H21ClN4O3S2?
You can request a quote for C27H21ClN4O3S2 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C27H21ClN4O3S2?
Yes, CoreyChem provides custom synthesis services for C27H21ClN4O3S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.