AN-698/41781375
TL;DR: AN-698/41781375 (CAS 665017-12-9) is a chemical compound with molecular formula C18H18ClNO4S2 and molecular weight 411.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-acetyl-2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-4-methylthiophene-3-carboxylate
Also Known As: AN-698/41781375, ethyl 5-acetyl-2-({[(4-chlorophenyl)sulfanyl]acetyl}amino)-4-methyl-3-thiophenecarboxylate, ethyl 5-acetyl-2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-4-methylthiophene-3-carboxylate, ethyl 5-acetyl-2-({[(4-chlorophenyl)sulfanyl]acetyl}amino)-4-methylthiophene-3-carboxylate, ethyl 5-acetyl-2-(2-((4-chlorophenyl)thio)acetamido)-4-methylthiophene-3-carboxylate
| Molecular Formula | C18H18ClNO4S2 |
|---|---|
| Molecular Weight | 411.04 g/mol |
| LogP | 4.82002 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.0366 |
| Heavy Atoms | 26 |
| Complexity | 830.4618 |
Chemical Identifiers
| CAS Number | 665017-12-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CSC2=CC=C(C=C2)Cl |
Product Overview
AN-698/41781375 (CAS 665017-12-9), with molecular formula C18H18ClNO4S2 and molecular weight 411.04 g/mol. IUPAC: ethyl 5-acetyl-2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of AN-698/41781375
Property Insights of AN-698/41781375
The XLogP value of 4.82002 indicates that AN-698/41781375 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/41781375. Following Lipinski's Rule of Five, AN-698/41781375 has 1 hydrogen bond donor(s) and 6 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-698/41781375?
The CAS number of AN-698/41781375 is 665017-12-9.
What is the molecular formula of AN-698/41781375?
The molecular formula of AN-698/41781375 is C18H18ClNO4S2.
What is the molecular weight of AN-698/41781375?
The molecular weight of AN-698/41781375 is 411.04 g/mol.
Where can I buy AN-698/41781375?
You can request a quote for AN-698/41781375 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/41781375?
Yes, KEHONG BIO provides custom synthesis services for AN-698/41781375 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.