AB00107444-01
TL;DR: AB00107444-01 (CAS 425683-55-2) is a chemical compound with molecular formula C19H18N4OS and molecular weight 350.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)phenyl]-3-phenylprop-2-enamide
Also Known As: AB00107444-01, (E)-N-[3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)phenyl]-3-phenylprop-2-enamide, AN-648/15241759, N-{3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]phenyl}-3-phenylacrylamide, N-(3-(4-methyl-5-(methylthio)-4H-1,2,4-triazol-3-yl)phenyl)cinnamamide
| Molecular Formula | C19H18N4OS |
|---|---|
| Molecular Weight | 350.12 g/mol |
| LogP | 3.8559 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.12012 |
| Heavy Atoms | 25 |
| Complexity | 902.79736 |
Chemical Identifiers
| CAS Number | 425683-55-2 |
|---|---|
| SMILES | CN1C(=NN=C1SC)C2=CC(=CC=C2)NC(=O)/C=C/C3=CC=CC=C3 |
Product Overview
AB00107444-01 (CAS 425683-55-2), with molecular formula C19H18N4OS and molecular weight 350.12 g/mol. IUPAC: (E)-N-[3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)phenyl]-3-phenylprop-2-enamide.
Chemical Property Profile of AB00107444-01
Property Insights of AB00107444-01
The XLogP value of 3.8559 indicates that AB00107444-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, AB00107444-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00107444-01 has 1 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 AB00107444-01?
The CAS number of AB00107444-01 is 425683-55-2.
What is the molecular formula of AB00107444-01?
The molecular formula of AB00107444-01 is C19H18N4OS.
What is the molecular weight of AB00107444-01?
The molecular weight of AB00107444-01 is 350.12 g/mol.
Where can I buy AB00107444-01?
You can request a quote for AB00107444-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00107444-01?
Yes, KEHONG BIO provides custom synthesis services for AB00107444-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.