AN-329/40990003
TL;DR: AN-329/40990003 (CAS 444100-58-7) is a chemical compound with molecular formula C19H19N3O2S and molecular weight 353.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(cyclopropanecarbonylamino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide
Also Known As: AN-329/40990003, N-[4-({2-[4-(methylsulfanyl)benzylidene]hydrazino}carbonyl)phenyl]cyclopropanecarboxamide, 4-(cyclopropanecarbonylamino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide, N-[4-({(2E)-2-[4-(methylsulfanyl)benzylidene]hydrazinyl}carbonyl)phenyl]cyclopropanecarboxamide
| Molecular Formula | C19H19N3O2S |
|---|---|
| Molecular Weight | 353.12 g/mol |
| LogP | 3.5209 |
| Topological Polar Surface Area | 70.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.1198 |
| Heavy Atoms | 25 |
| Complexity | 781.3214 |
Chemical Identifiers
| CAS Number | 444100-58-7 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)/C=N/NC(=O)C2=CC=C(C=C2)NC(=O)C3CC3 |
Product Overview
AN-329/40990003 (CAS 444100-58-7), with molecular formula C19H19N3O2S and molecular weight 353.12 g/mol. IUPAC: 4-(cyclopropanecarbonylamino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide.
Chemical Property Profile of AN-329/40990003
Property Insights of AN-329/40990003
The XLogP value of 3.5209 indicates that AN-329/40990003 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.56 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-329/40990003. Following Lipinski's Rule of Five, AN-329/40990003 has 2 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-329/40990003?
The CAS number of AN-329/40990003 is 444100-58-7.
What is the molecular formula of AN-329/40990003?
The molecular formula of AN-329/40990003 is C19H19N3O2S.
What is the molecular weight of AN-329/40990003?
The molecular weight of AN-329/40990003 is 353.12 g/mol.
Where can I buy AN-329/40990003?
You can request a quote for AN-329/40990003 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/40990003?
Yes, KEHONG BIO provides custom synthesis services for AN-329/40990003 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.