AN-329/41574113
TL;DR: AN-329/41574113 (CAS 642970-99-8) is a chemical compound with molecular formula C21H24N2O4S2 and molecular weight 432.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(4-methoxyphenyl)acetyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AN-329/41574113, ethyl 2-({[(4-methoxyphenyl)acetyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[[2-(4-methoxyphenyl)acetyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(3-(2-(4-methoxyphenyl)acetyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[({[(4-methoxyphenyl)acetyl]amino}carbonothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C21H24N2O4S2 |
|---|---|
| Molecular Weight | 432.12 g/mol |
| LogP | 3.8679 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.11774 |
| Heavy Atoms | 29 |
| Complexity | 906.1501 |
Chemical Identifiers
| CAS Number | 642970-99-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)CC3=CC=C(C=C3)OC |
Product Overview
AN-329/41574113 (CAS 642970-99-8), with molecular formula C21H24N2O4S2 and molecular weight 432.12 g/mol. IUPAC: ethyl 2-[[2-(4-methoxyphenyl)acetyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AN-329/41574113
Property Insights of AN-329/41574113
The XLogP value of 3.8679 indicates that AN-329/41574113 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-329/41574113. Following Lipinski's Rule of Five, AN-329/41574113 has 2 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-329/41574113?
The CAS number of AN-329/41574113 is 642970-99-8.
What is the molecular formula of AN-329/41574113?
The molecular formula of AN-329/41574113 is C21H24N2O4S2.
What is the molecular weight of AN-329/41574113?
The molecular weight of AN-329/41574113 is 432.12 g/mol.
Where can I buy AN-329/41574113?
You can request a quote for AN-329/41574113 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/41574113?
Yes, KEHONG BIO provides custom synthesis services for AN-329/41574113 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.