AN-988/14610115
TL;DR: AN-988/14610115 (CAS 443296-05-7) is a chemical compound with molecular formula C18H14Cl2N4O3S and molecular weight 436.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: AN-988/14610115, 2-((5-(4-(3,4-dichlorobenzamido)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid, 2-[[5-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid, [(5-{4-[(3,4-dichlorobenzoyl)amino]phenyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid, {5-[4-(3,4-Dichloro-benzoylamino)-phenyl]-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl}-acetic acid
| Molecular Formula | C18H14Cl2N4O3S |
|---|---|
| Molecular Weight | 436.02 g/mol |
| LogP | 4.2179 |
| Topological Polar Surface Area | 97.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 436.01636 |
| Heavy Atoms | 28 |
| Complexity | 1037.81 |
Chemical Identifiers
| CAS Number | 443296-05-7 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)Cl |
Product Overview
AN-988/14610115 (CAS 443296-05-7), with molecular formula C18H14Cl2N4O3S and molecular weight 436.02 g/mol. IUPAC: 2-[[5-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of AN-988/14610115
Property Insights of AN-988/14610115
The XLogP value of 4.2179 indicates that AN-988/14610115 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.11 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-988/14610115. Following Lipinski's Rule of Five, AN-988/14610115 has 2 hydrogen bond donor(s) and 5 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-988/14610115?
The CAS number of AN-988/14610115 is 443296-05-7.
What is the molecular formula of AN-988/14610115?
The molecular formula of AN-988/14610115 is C18H14Cl2N4O3S.
What is the molecular weight of AN-988/14610115?
The molecular weight of AN-988/14610115 is 436.02 g/mol.
Where can I buy AN-988/14610115?
You can request a quote for AN-988/14610115 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-988/14610115?
Yes, KEHONG BIO provides custom synthesis services for AN-988/14610115 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.