AB00721248-01
TL;DR: AB00721248-01 (CAS 727712-10-9) is a chemical compound with molecular formula C27H28N4OS and molecular weight 456.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)acetamide
Also Known As: AB00721248-01, 2-[[4-methyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)acetamide, 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)acetamide, 2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-phenylphenyl)acetamide, 2-{5-[4-(tert-butyl)phenyl]-4-methyl(1,2,4-triazol-3-ylthio)}-N-(2-phenylpheny l)acetamide
| Molecular Formula | C27H28N4OS |
|---|---|
| Molecular Weight | 456.20 g/mol |
| LogP | 6.1774 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.1984 |
| Heavy Atoms | 33 |
| Complexity | 1241.3639 |
Chemical Identifiers
| CAS Number | 727712-10-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NC3=CC=CC=C3C4=CC=CC=C4 |
Product Overview
AB00721248-01 (CAS 727712-10-9), with molecular formula C27H28N4OS and molecular weight 456.20 g/mol. IUPAC: 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)acetamide.
Chemical Property Profile of AB00721248-01
Property Insights of AB00721248-01
The XLogP value of 6.1774 indicates that AB00721248-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, AB00721248-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00721248-01 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00721248-01?
The CAS number of AB00721248-01 is 727712-10-9.
What is the molecular formula of AB00721248-01?
The molecular formula of AB00721248-01 is C27H28N4OS.
What is the molecular weight of AB00721248-01?
The molecular weight of AB00721248-01 is 456.20 g/mol.
Where can I buy AB00721248-01?
You can request a quote for AB00721248-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00721248-01?
Yes, KEHONG BIO provides custom synthesis services for AB00721248-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.