AN-648/14913050
TL;DR: AN-648/14913050 (CAS 455326-53-1) is a chemical compound with molecular formula C26H22ClN5O2S and molecular weight 503.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[4-[5-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-3-phenylprop-2-enamide
Also Known As: AN-648/14913050, (2E)-N-{4-[5-({2-[(2-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}-3-phenylprop-2-enamide, (E)-N-[4-[5-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-3-phenylprop-2-enamide, N-(4-(5-((2-((2-chlorophenyl)amino)-2-oxoethyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)cinnamamide, N-[4-(5-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)phenyl]-3-phenylacrylamide
| Molecular Formula | C26H22ClN5O2S |
|---|---|
| Molecular Weight | 503.12 g/mol |
| LogP | 5.5182 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 503.1183 |
| Heavy Atoms | 35 |
| Complexity | 1353.937 |
Chemical Identifiers
| CAS Number | 455326-53-1 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2Cl)C3=CC=C(C=C3)NC(=O)/C=C/C4=CC=CC=C4 |
Product Overview
AN-648/14913050 (CAS 455326-53-1), with molecular formula C26H22ClN5O2S and molecular weight 503.12 g/mol. IUPAC: (E)-N-[4-[5-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-3-phenylprop-2-enamide.
Chemical Property Profile of AN-648/14913050
Property Insights of AN-648/14913050
The XLogP value of 5.5182 indicates that AN-648/14913050 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-648/14913050. Following Lipinski's Rule of Five, AN-648/14913050 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-648/14913050?
The CAS number of AN-648/14913050 is 455326-53-1.
What is the molecular formula of AN-648/14913050?
The molecular formula of AN-648/14913050 is C26H22ClN5O2S.
What is the molecular weight of AN-648/14913050?
The molecular weight of AN-648/14913050 is 503.12 g/mol.
Where can I buy AN-648/14913050?
You can request a quote for AN-648/14913050 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-648/14913050?
Yes, KEHONG BIO provides custom synthesis services for AN-648/14913050 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.