AB00672483-01
TL;DR: AB00672483-01 (CAS 394662-94-3) is a chemical compound with molecular formula C23H22N8O4S2 and molecular weight 538.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(2,5-dimethylphenyl)-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-nitrobenzamide
Also Known As: AB00672483-01, F0772-1533, N-((4-(2,5-dimethylphenyl)-5-((2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-nitrobenzamide, N-{[4-(2,5-dimethylphenyl)-5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-nitrobenzamide, N-[[4-(2,5-dimethylphenyl)-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-nitrobenzamide
| Molecular Formula | C23H22N8O4S2 |
|---|---|
| Molecular Weight | 538.12 g/mol |
| LogP | 3.61306 |
| Topological Polar Surface Area | 157.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 538.12054 |
| Heavy Atoms | 37 |
| Complexity | 1465.9143 |
Chemical Identifiers
| CAS Number | 394662-94-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)NC3=NN=C(S3)C)CNC(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
AB00672483-01 (CAS 394662-94-3), with molecular formula C23H22N8O4S2 and molecular weight 538.12 g/mol. IUPAC: N-[[4-(2,5-dimethylphenyl)-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-nitrobenzamide.
Chemical Property Profile of AB00672483-01
Property Insights of AB00672483-01
The XLogP value of 3.61306 indicates that AB00672483-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 157.83 Ų indicates high polarity, suggesting AB00672483-01 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AB00672483-01 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00672483-01?
The CAS number of AB00672483-01 is 394662-94-3.
What is the molecular formula of AB00672483-01?
The molecular formula of AB00672483-01 is C23H22N8O4S2.
What is the molecular weight of AB00672483-01?
The molecular weight of AB00672483-01 is 538.12 g/mol.
Where can I buy AB00672483-01?
You can request a quote for AB00672483-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672483-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672483-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.