AN-648/14914438
TL;DR: AN-648/14914438 (CAS 6248-89-1) is a chemical compound with molecular formula C28H27N5O2S and molecular weight 497.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-3-phenylprop-2-enamide
Also Known As: AN-648/14914438, (E)-N-[4-[5-[(2,6-dimethylphenyl)carbamoylmethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]-3-phenyl-prop-2-enamide, N-[4-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-3-phenylprop-2-enamide
| Molecular Formula | C28H27N5O2S |
|---|---|
| Molecular Weight | 497.19 g/mol |
| LogP | 5.48164 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 497.18854 |
| Heavy Atoms | 36 |
| Complexity | 1375.2246 |
Chemical Identifiers
| CAS Number | 6248-89-1 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)NC(=O)C=CC4=CC=CC=C4 |
Product Overview
AN-648/14914438 (CAS 6248-89-1), with molecular formula C28H27N5O2S and molecular weight 497.19 g/mol. IUPAC: N-[4-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-3-phenylprop-2-enamide.
Chemical Property Profile of AN-648/14914438
Property Insights of AN-648/14914438
The XLogP value of 5.48164 indicates that AN-648/14914438 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-648/14914438. Following Lipinski's Rule of Five, AN-648/14914438 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-648/14914438?
The CAS number of AN-648/14914438 is 6248-89-1.
What is the molecular formula of AN-648/14914438?
The molecular formula of AN-648/14914438 is C28H27N5O2S.
What is the molecular weight of AN-648/14914438?
The molecular weight of AN-648/14914438 is 497.19 g/mol.
Where can I buy AN-648/14914438?
You can request a quote for AN-648/14914438 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-648/14914438?
Yes, KEHONG BIO provides custom synthesis services for AN-648/14914438 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.