AN-648/14914421
TL;DR: AN-648/14914421 (CAS 425652-68-2) is a chemical compound with molecular formula C22H24N4OS and molecular weight 392.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[4-(5-butylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]-3-phenylprop-2-enamide
Also Known As: AN-648/14914421, (E)-N-[4-(5-butylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]-3-phenylprop-2-enamide, N-{4-[5-(butylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}-3-phenylacrylamide
| Molecular Formula | C22H24N4OS |
|---|---|
| Molecular Weight | 392.17 g/mol |
| LogP | 5.0262 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 392.16708 |
| Heavy Atoms | 28 |
| Complexity | 932.9304 |
Chemical Identifiers
| CAS Number | 425652-68-2 |
|---|---|
| SMILES | CCCCSC1=NN=C(N1C)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=CC=C3 |
Product Overview
AN-648/14914421 (CAS 425652-68-2), with molecular formula C22H24N4OS and molecular weight 392.17 g/mol. IUPAC: (E)-N-[4-(5-butylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]-3-phenylprop-2-enamide.
Chemical Property Profile of AN-648/14914421
Property Insights of AN-648/14914421
The XLogP value of 5.0262 indicates that AN-648/14914421 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-648/14914421 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-648/14914421 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-648/14914421?
The CAS number of AN-648/14914421 is 425652-68-2.
What is the molecular formula of AN-648/14914421?
The molecular formula of AN-648/14914421 is C22H24N4OS.
What is the molecular weight of AN-648/14914421?
The molecular weight of AN-648/14914421 is 392.17 g/mol.
Where can I buy AN-648/14914421?
You can request a quote for AN-648/14914421 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-648/14914421?
Yes, KEHONG BIO provides custom synthesis services for AN-648/14914421 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.