AN-988/40680190
TL;DR: AN-988/40680190 (CAS 384797-05-1) is a chemical compound with molecular formula C13H10ClN3O3S and molecular weight 323.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[(E)-(carbamothioylhydrazinylidene)methyl]furan-2-yl]-4-chlorobenzoic acid
Also Known As: AN-988/40680190, 3-{5-[(E)-(2-carbamothioylhydrazinylidene)methyl]furan-2-yl}-4-chlorobenzoic acid, (E)-3-(5-((2-carbamothioylhydrazono)methyl)furan-2-yl)-4-chlorobenzoic acid, 3-[5-[(E)-(carbamothioylhydrazinylidene)methyl]furan-2-yl]-4-chlorobenzoic acid
| Molecular Formula | C13H10ClN3O3S |
|---|---|
| Molecular Weight | 323.01 g/mol |
| LogP | 2.4653 |
| Topological Polar Surface Area | 100.85 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.01315 |
| Heavy Atoms | 21 |
| Complexity | 727.2016 |
Chemical Identifiers
| CAS Number | 384797-05-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)C2=CC=C(O2)/C=N/NC(=S)N)Cl |
Product Overview
AN-988/40680190 (CAS 384797-05-1), with molecular formula C13H10ClN3O3S and molecular weight 323.01 g/mol. IUPAC: 3-[5-[(E)-(carbamothioylhydrazinylidene)methyl]furan-2-yl]-4-chlorobenzoic acid.
Chemical Property Profile of AN-988/40680190
Property Insights of AN-988/40680190
The XLogP value of 2.4653 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-988/40680190. The TPSA of 100.85 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-988/40680190. Following Lipinski's Rule of Five, AN-988/40680190 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-988/40680190?
The CAS number of AN-988/40680190 is 384797-05-1.
What is the molecular formula of AN-988/40680190?
The molecular formula of AN-988/40680190 is C13H10ClN3O3S.
What is the molecular weight of AN-988/40680190?
The molecular weight of AN-988/40680190 is 323.01 g/mol.
Where can I buy AN-988/40680190?
You can request a quote for AN-988/40680190 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-988/40680190?
Yes, KEHONG BIO provides custom synthesis services for AN-988/40680190 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.