AN-329/42682454
TL;DR: AN-329/42682454 (CAS 817564-35-5) is a chemical compound with molecular formula C21H25ClN2O2S3 and molecular weight 468.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[(4-hydroxy-1-methylsulfanyl-4-prop-2-enylhept-6-en-3-yl)carbamothioyl]-1-benzothiophene-2-carboxamide
Also Known As: AN-329/42682454, 3-chloro-N-[(4-hydroxy-1-methylsulfanyl-4-prop-2-enylhept-6-en-3-yl)carbamothioyl]-1-benzothiophene-2-carboxamide, N-[({2-allyl-2-hydroxy-1-[2-(methylsulfanyl)ethyl]-4-penten-1-yl}amino)carbonothioyl]-3-chloro-1-benzothiophene-2-carboxamide, N-{2-allyl-2-hydroxy-1-[2-(methylsulfanyl)ethyl]-4-pentenyl}-N'-[(3-chloro-1-benzothien-2-yl)carbonyl]thiourea, 3-chloro-N-{[4-hydroxy-1-(methylsulfanyl)-4-(prop-2-en-1-yl)hept-6-en-3-yl]carbamothioyl}-1-benzothiophene-2-carboxamide
| Molecular Formula | C21H25ClN2O2S3 |
|---|---|
| Molecular Weight | 468.08 g/mol |
| LogP | 5.164 |
| Topological Polar Surface Area | 61.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 468.07666 |
| Heavy Atoms | 29 |
| Complexity | 887.1786 |
Chemical Identifiers
| CAS Number | 817564-35-5 |
|---|---|
| SMILES | CSCCC(C(CC=C)(CC=C)O)NC(=S)NC(=O)C1=C(C2=CC=CC=C2S1)Cl |
Product Overview
AN-329/42682454 (CAS 817564-35-5), with molecular formula C21H25ClN2O2S3 and molecular weight 468.08 g/mol. IUPAC: 3-chloro-N-[(4-hydroxy-1-methylsulfanyl-4-prop-2-enylhept-6-en-3-yl)carbamothioyl]-1-benzothiophene-2-carboxamide.
Chemical Property Profile of AN-329/42682454
Property Insights of AN-329/42682454
The XLogP value of 5.164 indicates that AN-329/42682454 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.36 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-329/42682454. Following Lipinski's Rule of Five, AN-329/42682454 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-329/42682454?
The CAS number of AN-329/42682454 is 817564-35-5.
What is the molecular formula of AN-329/42682454?
The molecular formula of AN-329/42682454 is C21H25ClN2O2S3.
What is the molecular weight of AN-329/42682454?
The molecular weight of AN-329/42682454 is 468.08 g/mol.
Where can I buy AN-329/42682454?
You can request a quote for AN-329/42682454 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/42682454?
Yes, KEHONG BIO provides custom synthesis services for AN-329/42682454 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.