AN-648/41128344
TL;DR: AN-648/41128344 (CAS 433952-57-9) is a chemical compound with molecular formula C19H15ClN4O4S2 and molecular weight 462.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[[5-[(2-chlorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: AN-648/41128344, Methyl 2-[[2-[[5-[(2-chlorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate, methyl 2-(2-((5-(2-chlorobenzamido)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate, methyl 2-[({[(5Z)-5-{[(2-chlorophenyl)carbonyl]imino}-4,5-dihydro-1,3,4-thiadiazol-2-yl]sulfanyl}acetyl)amino]benzoate, methyl 2-{[({5-[(2-chlorobenzoyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]amino}benzoate
| Molecular Formula | C19H15ClN4O4S2 |
|---|---|
| Molecular Weight | 462.02 g/mol |
| LogP | 3.9612 |
| Topological Polar Surface Area | 110.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 462.02234 |
| Heavy Atoms | 30 |
| Complexity | 1089.6561 |
Chemical Identifiers
| CAS Number | 433952-57-9 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=CC=C3Cl |
Product Overview
AN-648/41128344 (CAS 433952-57-9), with molecular formula C19H15ClN4O4S2 and molecular weight 462.02 g/mol. IUPAC: methyl 2-[[2-[[5-[(2-chlorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of AN-648/41128344
Property Insights of AN-648/41128344
The XLogP value of 3.9612 indicates that AN-648/41128344 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.28 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-648/41128344. Following Lipinski's Rule of Five, AN-648/41128344 has 2 hydrogen bond donor(s) and 8 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-648/41128344?
The CAS number of AN-648/41128344 is 433952-57-9.
What is the molecular formula of AN-648/41128344?
The molecular formula of AN-648/41128344 is C19H15ClN4O4S2.
What is the molecular weight of AN-648/41128344?
The molecular weight of AN-648/41128344 is 462.02 g/mol.
Where can I buy AN-648/41128344?
You can request a quote for AN-648/41128344 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-648/41128344?
Yes, KEHONG BIO provides custom synthesis services for AN-648/41128344 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.