AB00105477-01
TL;DR: AB00105477-01 (CAS 404914-89-2) is a chemical compound with molecular formula C21H20N6O3S and molecular weight 436.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-nitrophenyl)butanamide
Also Known As: AB00105477-01, 2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-nitrophenyl)butanamide, 2-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-nitrophenyl)butanamide, 2-({5-ETHYL-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL}SULFANYL)-N-(4-NITROPHENYL)BUTANAMIDE, 2-({5-ETHYL-5H-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL}SULFANYL)-N-(4-NITROPHENYL)BUTANAMIDE
| Molecular Formula | C21H20N6O3S |
|---|---|
| Molecular Weight | 436.13 g/mol |
| LogP | 4.417 |
| Topological Polar Surface Area | 115.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 436.13177 |
| Heavy Atoms | 31 |
| Complexity | 1271.586 |
Chemical Identifiers
| CAS Number | 404914-89-2 |
|---|---|
| SMILES | CCC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NC3=C(C4=CC=CC=C4N3CC)N=N2 |
Product Overview
AB00105477-01 (CAS 404914-89-2), with molecular formula C21H20N6O3S and molecular weight 436.13 g/mol. IUPAC: 2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-nitrophenyl)butanamide.
Chemical Property Profile of AB00105477-01
Property Insights of AB00105477-01
The XLogP value of 4.417 indicates that AB00105477-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.84 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00105477-01. Following Lipinski's Rule of Five, AB00105477-01 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 AB00105477-01?
The CAS number of AB00105477-01 is 404914-89-2.
What is the molecular formula of AB00105477-01?
The molecular formula of AB00105477-01 is C21H20N6O3S.
What is the molecular weight of AB00105477-01?
The molecular weight of AB00105477-01 is 436.13 g/mol.
Where can I buy AB00105477-01?
You can request a quote for AB00105477-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00105477-01?
Yes, KEHONG BIO provides custom synthesis services for AB00105477-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.