AN-329/41561936
TL;DR: AN-329/41561936 (CAS 642983-80-0) is a chemical compound with molecular formula C19H21ClN2O2S2 and molecular weight 408.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-6-methoxy-1-benzothiophene-2-carboxamide
Also Known As: AN-329/41561936, 3-chloro-N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-6-methoxy-1-benzothiophene-2-carboxamide, 3-chloro-N-({[2-(1-cyclohexen-1-yl)ethyl]amino}carbonothioyl)-6-methoxy-1-benzothiophene-2-carboxamide, 3-chloro-N-{[2-(cyclohex-1-en-1-yl)ethyl]carbamothioyl}-6-methoxy-1-benzothiophene-2-carboxamide, N-[(3-chloro-6-methoxy-1-benzothien-2-yl)carbonyl]-N'-[2-(1-cyclohexen-1-yl)ethyl]thiourea
| Molecular Formula | C19H21ClN2O2S2 |
|---|---|
| Molecular Weight | 408.07 g/mol |
| LogP | 5.0581 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.0733 |
| Heavy Atoms | 26 |
| Complexity | 860.5863 |
Chemical Identifiers
| CAS Number | 642983-80-0 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NCCC3=CCCCC3)Cl |
Product Overview
AN-329/41561936 (CAS 642983-80-0), with molecular formula C19H21ClN2O2S2 and molecular weight 408.07 g/mol. IUPAC: 3-chloro-N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-6-methoxy-1-benzothiophene-2-carboxamide.
Chemical Property Profile of AN-329/41561936
Property Insights of AN-329/41561936
The XLogP value of 5.0581 indicates that AN-329/41561936 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, AN-329/41561936 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-329/41561936 has 2 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-329/41561936?
The CAS number of AN-329/41561936 is 642983-80-0.
What is the molecular formula of AN-329/41561936?
The molecular formula of AN-329/41561936 is C19H21ClN2O2S2.
What is the molecular weight of AN-329/41561936?
The molecular weight of AN-329/41561936 is 408.07 g/mol.
Where can I buy AN-329/41561936?
You can request a quote for AN-329/41561936 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/41561936?
Yes, KEHONG BIO provides custom synthesis services for AN-329/41561936 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.