AB00110991-01
TL;DR: AB00110991-01 (CAS 429642-40-0) is a chemical compound with molecular formula C27H27N5O2S and molecular weight 485.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-methylbenzamide
Also Known As: AB00110991-01, AN-988/15291143, N-[3-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-methylbenzamide, N-{3-[5-({2-[(2,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}-2-methylbenzamide, N-[3-(5-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)phenyl]-2-methylbenzamide
| Molecular Formula | C27H27N5O2S |
|---|---|
| Molecular Weight | 485.19 g/mol |
| LogP | 5.39046 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 485.18854 |
| Heavy Atoms | 35 |
| Complexity | 1396.0945 |
Chemical Identifiers
| CAS Number | 429642-40-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4C)C |
Product Overview
AB00110991-01 (CAS 429642-40-0), with molecular formula C27H27N5O2S and molecular weight 485.19 g/mol. IUPAC: N-[3-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-methylbenzamide.
Chemical Property Profile of AB00110991-01
Property Insights of AB00110991-01
The XLogP value of 5.39046 indicates that AB00110991-01 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 AB00110991-01. Following Lipinski's Rule of Five, AB00110991-01 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 AB00110991-01?
The CAS number of AB00110991-01 is 429642-40-0.
What is the molecular formula of AB00110991-01?
The molecular formula of AB00110991-01 is C27H27N5O2S.
What is the molecular weight of AB00110991-01?
The molecular weight of AB00110991-01 is 485.19 g/mol.
Where can I buy AB00110991-01?
You can request a quote for AB00110991-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00110991-01?
Yes, KEHONG BIO provides custom synthesis services for AB00110991-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.