AB00121413-01
TL;DR: AB00121413-01 (CAS 432541-20-3) is a chemical compound with molecular formula C26H23N5OS2 and molecular weight 485.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
Also Known As: AB00121413-01, 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide, A2776/0117527, 2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide, 2-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)acetamide
| Molecular Formula | C26H23N5OS2 |
|---|---|
| Molecular Weight | 485.13 g/mol |
| LogP | 6.28092 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 485.1344 |
| Heavy Atoms | 34 |
| Complexity | 1441.6327 |
Chemical Identifiers
| CAS Number | 432541-20-3 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C)C5=CC=CC=C5 |
Product Overview
AB00121413-01 (CAS 432541-20-3), with molecular formula C26H23N5OS2 and molecular weight 485.13 g/mol. IUPAC: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide.
Chemical Property Profile of AB00121413-01
Property Insights of AB00121413-01
The XLogP value of 6.28092 indicates that AB00121413-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00121413-01. Following Lipinski's Rule of Five, AB00121413-01 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00121413-01?
The CAS number of AB00121413-01 is 432541-20-3.
What is the molecular formula of AB00121413-01?
The molecular formula of AB00121413-01 is C26H23N5OS2.
What is the molecular weight of AB00121413-01?
The molecular weight of AB00121413-01 is 485.13 g/mol.
Where can I buy AB00121413-01?
You can request a quote for AB00121413-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00121413-01?
Yes, KEHONG BIO provides custom synthesis services for AB00121413-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.