AN-648/15241816
TL;DR: AN-648/15241816 (CAS 428456-85-3) is a chemical compound with molecular formula C25H22N4OS and molecular weight 426.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]-3-phenylprop-2-enamide
Also Known As: AN-648/15241816, AB00107049-01, (E)-N-[3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]-3-phenylprop-2-enamide, N-{3-[5-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}-3-phenylacrylamide
| Molecular Formula | C25H22N4OS |
|---|---|
| Molecular Weight | 426.15 g/mol |
| LogP | 5.4263 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.15143 |
| Heavy Atoms | 31 |
| Complexity | 1186.6447 |
Chemical Identifiers
| CAS Number | 428456-85-3 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=CC=CC=C2)C3=CC(=CC=C3)NC(=O)/C=C/C4=CC=CC=C4 |
Product Overview
AN-648/15241816 (CAS 428456-85-3), with molecular formula C25H22N4OS and molecular weight 426.15 g/mol. IUPAC: (E)-N-[3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]-3-phenylprop-2-enamide.
Chemical Property Profile of AN-648/15241816
Property Insights of AN-648/15241816
The XLogP value of 5.4263 indicates that AN-648/15241816 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, AN-648/15241816 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-648/15241816 has 1 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-648/15241816?
The CAS number of AN-648/15241816 is 428456-85-3.
What is the molecular formula of AN-648/15241816?
The molecular formula of AN-648/15241816 is C25H22N4OS.
What is the molecular weight of AN-648/15241816?
The molecular weight of AN-648/15241816 is 426.15 g/mol.
Where can I buy AN-648/15241816?
You can request a quote for AN-648/15241816 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-648/15241816?
Yes, KEHONG BIO provides custom synthesis services for AN-648/15241816 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.