AN-648/14913035
TL;DR: AN-648/14913035 (CAS 443298-36-0) is a chemical compound with molecular formula C30H33N5O2S and molecular weight 527.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-[4-[5-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide
Also Known As: AN-648/14913035, 4-tert-butyl-N-[4-(5-{[2-(4-ethylanilino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)phenyl]benzamide, 4-tert-butyl-N-[4-[5-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide, 4-(tert-butyl)-N-(4-(5-((2-((4-ethylphenyl)amino)-2-oxoethyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)benzamide, 4-tert-butyl-N-{4-[5-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}benzamide
| Molecular Formula | C30H33N5O2S |
|---|---|
| Molecular Weight | 527.24 g/mol |
| LogP | 6.3251 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 527.2355 |
| Heavy Atoms | 38 |
| Complexity | 1403.2812 |
Chemical Identifiers
| CAS Number | 443298-36-0 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)C(C)(C)C |
Product Overview
AN-648/14913035 (CAS 443298-36-0), with molecular formula C30H33N5O2S and molecular weight 527.24 g/mol. IUPAC: 4-tert-butyl-N-[4-[5-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide.
Chemical Property Profile of AN-648/14913035
Property Insights of AN-648/14913035
The XLogP value of 6.3251 indicates that AN-648/14913035 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-648/14913035. Following Lipinski's Rule of Five, AN-648/14913035 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-648/14913035?
The CAS number of AN-648/14913035 is 443298-36-0.
What is the molecular formula of AN-648/14913035?
The molecular formula of AN-648/14913035 is C30H33N5O2S.
What is the molecular weight of AN-648/14913035?
The molecular weight of AN-648/14913035 is 527.24 g/mol.
Where can I buy AN-648/14913035?
You can request a quote for AN-648/14913035 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-648/14913035?
Yes, KEHONG BIO provides custom synthesis services for AN-648/14913035 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.