AN-329/42682436
TL;DR: AN-329/42682436 (CAS 817563-99-8) is a chemical compound with molecular formula C25H30N2O2S2 and molecular weight 454.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-hydroxy-1-methylsulfanyl-4-prop-2-enylhept-6-en-3-yl)carbamothioyl]-4-phenylbenzamide
Also Known As: AN-329/42682436, N-[(4-hydroxy-1-methylsulfanyl-4-prop-2-enylhept-6-en-3-yl)carbamothioyl]-4-phenylbenzamide, 4-({[({2-allyl-2-hydroxy-1-[2-(methylsulfanyl)ethyl]-4-pentenyl}amino)carbothioyl]amino}carbonyl)-1,1'-biphenyl, N-[({2-allyl-2-hydroxy-1-[2-(methylsulfanyl)ethyl]-4-penten-1-yl}amino)carbonothioyl]-4-biphenylcarboxamide, N-{[4-hydroxy-1-(methylsulfanyl)-4-(prop-2-en-1-yl)hept-6-en-3-yl]carbamothioyl}biphenyl-4-carboxamide
| Molecular Formula | C25H30N2O2S2 |
|---|---|
| Molecular Weight | 454.17 g/mol |
| LogP | 4.9629 |
| Topological Polar Surface Area | 61.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 454.17487 |
| Heavy Atoms | 31 |
| Complexity | 872.15485 |
Chemical Identifiers
| CAS Number | 817563-99-8 |
|---|---|
| SMILES | CSCCC(C(CC=C)(CC=C)O)NC(=S)NC(=O)C1=CC=C(C=C1)C2=CC=CC=C2 |
Product Overview
AN-329/42682436 (CAS 817563-99-8), with molecular formula C25H30N2O2S2 and molecular weight 454.17 g/mol. IUPAC: N-[(4-hydroxy-1-methylsulfanyl-4-prop-2-enylhept-6-en-3-yl)carbamothioyl]-4-phenylbenzamide.
Chemical Property Profile of AN-329/42682436
Property Insights of AN-329/42682436
The XLogP value of 4.9629 indicates that AN-329/42682436 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-329/42682436. Following Lipinski's Rule of Five, AN-329/42682436 has 3 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-329/42682436?
The CAS number of AN-329/42682436 is 817563-99-8.
What is the molecular formula of AN-329/42682436?
The molecular formula of AN-329/42682436 is C25H30N2O2S2.
What is the molecular weight of AN-329/42682436?
The molecular weight of AN-329/42682436 is 454.17 g/mol.
Where can I buy AN-329/42682436?
You can request a quote for AN-329/42682436 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/42682436?
Yes, KEHONG BIO provides custom synthesis services for AN-329/42682436 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.