AN-329/41561931
TL;DR: AN-329/41561931 (CAS 642983-76-4) is a chemical compound with molecular formula C20H17ClN2O2S2 and molecular weight 416.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-6-methoxy-1-benzothiophene-2-carboxamide
Also Known As: AN-329/41561931, 3-chloro-N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-6-methoxy-1-benzothiophene-2-carboxamide, 3-chloro-N-(3,4-dihydro-1(2H)-quinolinylcarbothioyl)-6-methoxy-1-benzothiophene-2-carboxamide, 3-chloro-N-(3,4-dihydro-1(2H)-quinolinylcarbonothioyl)-6-methoxy-1-benzothiophene-2-carboxamide, 3-chloro-N-(3,4-dihydroquinolin-1(2H)-ylcarbonothioyl)-6-methoxy-1-benzothiophene-2-carboxamide
| Molecular Formula | C20H17ClN2O2S2 |
|---|---|
| Molecular Weight | 416.04 g/mol |
| LogP | 5.0308 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 416.042 |
| Heavy Atoms | 27 |
| Complexity | 1047.6378 |
Chemical Identifiers
| CAS Number | 642983-76-4 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)N3CCCC4=CC=CC=C43)Cl |
Product Overview
AN-329/41561931 (CAS 642983-76-4), with molecular formula C20H17ClN2O2S2 and molecular weight 416.04 g/mol. IUPAC: 3-chloro-N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-6-methoxy-1-benzothiophene-2-carboxamide.
Chemical Property Profile of AN-329/41561931
Property Insights of AN-329/41561931
The XLogP value of 5.0308 indicates that AN-329/41561931 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-329/41561931 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-329/41561931 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-329/41561931?
The CAS number of AN-329/41561931 is 642983-76-4.
What is the molecular formula of AN-329/41561931?
The molecular formula of AN-329/41561931 is C20H17ClN2O2S2.
What is the molecular weight of AN-329/41561931?
The molecular weight of AN-329/41561931 is 416.04 g/mol.
Where can I buy AN-329/41561931?
You can request a quote for AN-329/41561931 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/41561931?
Yes, KEHONG BIO provides custom synthesis services for AN-329/41561931 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.