AN-648/14913034
TL;DR: AN-648/14913034 (CAS 444058-10-0) is a chemical compound with molecular formula C29H31N5O2S and molecular weight 513.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-[4-[4-methyl-5-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]benzamide
Also Known As: AN-648/14913034, 4-tert-butyl-N-[4-(4-methyl-5-{[2-oxo-2-(4-toluidino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenyl]benzamide, 4-tert-butyl-N-[4-[4-methyl-5-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]benzamide, 4-(tert-butyl)-N-(4-(4-methyl-5-((2-oxo-2-(p-tolylamino)ethyl)thio)-4H-1,2,4-triazol-3-yl)phenyl)benzamide, 4-tert-butyl-N-{4-[4-methyl-5-({2-[(4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]phenyl}benzamide
| Molecular Formula | C29H31N5O2S |
|---|---|
| Molecular Weight | 513.22 g/mol |
| LogP | 6.07112 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 513.21985 |
| Heavy Atoms | 37 |
| Complexity | 1386.4902 |
Chemical Identifiers
| CAS Number | 444058-10-0 |
|---|---|
| SMILES | CC1=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-648/14913034 (CAS 444058-10-0), with molecular formula C29H31N5O2S and molecular weight 513.22 g/mol. IUPAC: 4-tert-butyl-N-[4-[4-methyl-5-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]benzamide.
Chemical Property Profile of AN-648/14913034
Property Insights of AN-648/14913034
The XLogP value of 6.07112 indicates that AN-648/14913034 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-648/14913034. Following Lipinski's Rule of Five, AN-648/14913034 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-648/14913034?
The CAS number of AN-648/14913034 is 444058-10-0.
What is the molecular formula of AN-648/14913034?
The molecular formula of AN-648/14913034 is C29H31N5O2S.
What is the molecular weight of AN-648/14913034?
The molecular weight of AN-648/14913034 is 513.22 g/mol.
Where can I buy AN-648/14913034?
You can request a quote for AN-648/14913034 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-648/14913034?
Yes, KEHONG BIO provides custom synthesis services for AN-648/14913034 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.