AB00105253-01
TL;DR: AB00105253-01 (CAS 335209-20-6) is a chemical compound with molecular formula C21H18N6OS2 and molecular weight 434.10 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-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Also Known As: AB00105253-01, N-(1,3-benzothiazol-2-yl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide, N-(1,3-benzothiazol-2-yl)-2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide, N-(1,3-BENZOTHIAZOL-2-YL)-2-({5-PROPYL-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL}SULFANYL)ACETAMIDE, N-(1,3-BENZOTHIAZOL-2-YL)-2-({5-PROPYL-5H-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL}SULFANYL)ACETAMIDE
| Molecular Formula | C21H18N6OS2 |
|---|---|
| Molecular Weight | 434.10 g/mol |
| LogP | 4.73 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 434.09836 |
| Heavy Atoms | 30 |
| Complexity | 1343.237 |
Chemical Identifiers
| CAS Number | 335209-20-6 |
|---|---|
| SMILES | CCCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=NC5=CC=CC=C5S4 |
Product Overview
AB00105253-01 (CAS 335209-20-6), with molecular formula C21H18N6OS2 and molecular weight 434.10 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of AB00105253-01
Property Insights of AB00105253-01
The XLogP value of 4.73 indicates that AB00105253-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00105253-01. Following Lipinski's Rule of Five, AB00105253-01 has 1 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 AB00105253-01?
The CAS number of AB00105253-01 is 335209-20-6.
What is the molecular formula of AB00105253-01?
The molecular formula of AB00105253-01 is C21H18N6OS2.
What is the molecular weight of AB00105253-01?
The molecular weight of AB00105253-01 is 434.10 g/mol.
Where can I buy AB00105253-01?
You can request a quote for AB00105253-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00105253-01?
Yes, KEHONG BIO provides custom synthesis services for AB00105253-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.