AN-329/41770681
TL;DR: AN-329/41770681 (CAS 649734-39-4) is a chemical compound with molecular formula C19H17ClN2O2S2 and molecular weight 404.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[benzyl(methyl)carbamothioyl]-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide
Also Known As: AN-329/41770681, N-[benzyl(methyl)carbamothioyl]-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide, N-{[benzyl(methyl)amino]carbonothioyl}-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide, N-benzyl-N'-[(3-chloro-6-methoxy-1-benzothien-2-yl)carbonyl]-N-methylthiourea
| Molecular Formula | C19H17ClN2O2S2 |
|---|---|
| Molecular Weight | 404.04 g/mol |
| LogP | 4.71 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.042 |
| Heavy Atoms | 26 |
| Complexity | 956.83246 |
Chemical Identifiers
| CAS Number | 649734-39-4 |
|---|---|
| SMILES | CN(CC1=CC=CC=C1)C(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)OC)Cl |
Product Overview
AN-329/41770681 (CAS 649734-39-4), with molecular formula C19H17ClN2O2S2 and molecular weight 404.04 g/mol. IUPAC: N-[benzyl(methyl)carbamothioyl]-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide.
Chemical Property Profile of AN-329/41770681
Property Insights of AN-329/41770681
The XLogP value of 4.71 indicates that AN-329/41770681 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.57 Ų, AN-329/41770681 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-329/41770681 has 1 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-329/41770681?
The CAS number of AN-329/41770681 is 649734-39-4.
What is the molecular formula of AN-329/41770681?
The molecular formula of AN-329/41770681 is C19H17ClN2O2S2.
What is the molecular weight of AN-329/41770681?
The molecular weight of AN-329/41770681 is 404.04 g/mol.
Where can I buy AN-329/41770681?
You can request a quote for AN-329/41770681 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/41770681?
Yes, KEHONG BIO provides custom synthesis services for AN-329/41770681 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.