AB00105463-01
TL;DR: AB00105463-01 (CAS 296770-93-9) is a chemical compound with molecular formula C16H15N7OS3 and molecular weight 417.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Also Known As: AB00105463-01, A1122/0052586, N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide, N-(5-Ethylsulfanyl-[1,3,4]thiadiazol-2-yl)-2-(9-methyl-9H-1,3,4,9-tetraaza-fluor, N-[5-(ETHYLSULFANYL)-1,3,4-THIADIAZOL-2-YL]-2-({5-METHYL-5H-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL}SULFANYL)ACETAMIDE
| Molecular Formula | C16H15N7OS3 |
|---|---|
| Molecular Weight | 417.05 g/mol |
| LogP | 3.2108 |
| Topological Polar Surface Area | 98.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.05002 |
| Heavy Atoms | 27 |
| Complexity | 1123.8087 |
Chemical Identifiers
| CAS Number | 296770-93-9 |
|---|---|
| SMILES | CCSC1=NN=C(S1)NC(=O)CSC2=NC3=C(C4=CC=CC=C4N3C)N=N2 |
Product Overview
AB00105463-01 (CAS 296770-93-9), with molecular formula C16H15N7OS3 and molecular weight 417.05 g/mol. IUPAC: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of AB00105463-01
Property Insights of AB00105463-01
The XLogP value of 3.2108 indicates that AB00105463-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.48 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00105463-01. Following Lipinski's Rule of Five, AB00105463-01 has 1 hydrogen bond donor(s) and 9 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 AB00105463-01?
The CAS number of AB00105463-01 is 296770-93-9.
What is the molecular formula of AB00105463-01?
The molecular formula of AB00105463-01 is C16H15N7OS3.
What is the molecular weight of AB00105463-01?
The molecular weight of AB00105463-01 is 417.05 g/mol.
Where can I buy AB00105463-01?
You can request a quote for AB00105463-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00105463-01?
Yes, KEHONG BIO provides custom synthesis services for AB00105463-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.