BAS 02729564
TL;DR: BAS 02729564 (CAS 335222-67-8) is a chemical compound with molecular formula C18H12N6OS2 and molecular weight 392.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
Also Known As: BAS 02729564, AB00105424-01, N-(1,3-benzothiazol-2-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide, N-Benzothiazol-2-yl-2-(9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetamide, N-(1,3-BENZOTHIAZOL-2-YL)-2-{5H-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YLSULFANYL}ACETAMIDE
| Molecular Formula | C18H12N6OS2 |
|---|---|
| Molecular Weight | 392.05 g/mol |
| LogP | 3.8466 |
| Topological Polar Surface Area | 96.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.0514 |
| Heavy Atoms | 27 |
| Complexity | 1262.0042 |
Chemical Identifiers
| CAS Number | 335222-67-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(N2)N=C(N=N3)SCC(=O)NC4=NC5=CC=CC=C5S4 |
Product Overview
BAS 02729564 (CAS 335222-67-8), with molecular formula C18H12N6OS2 and molecular weight 392.05 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide.
Chemical Property Profile of BAS 02729564
Property Insights of BAS 02729564
The XLogP value of 3.8466 indicates that BAS 02729564 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.45 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02729564. Following Lipinski's Rule of Five, BAS 02729564 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02729564?
The CAS number of BAS 02729564 is 335222-67-8.
What is the molecular formula of BAS 02729564?
The molecular formula of BAS 02729564 is C18H12N6OS2.
What is the molecular weight of BAS 02729564?
The molecular weight of BAS 02729564 is 392.05 g/mol.
Where can I buy BAS 02729564?
You can request a quote for BAS 02729564 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02729564?
Yes, KEHONG BIO provides custom synthesis services for BAS 02729564 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.