AB00086877-01
TL;DR: AB00086877-01 (CAS 331261-89-3) is a chemical compound with molecular formula C17H13N5O3S and molecular weight 367.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanyl-6-(2-nitrophenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: AB00086877-01, 3-methylsulfanyl-6-(2-nitrophenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 6-{2-nitrophenyl}-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C17H13N5O3S |
|---|---|
| Molecular Weight | 367.07 g/mol |
| LogP | 3.6718 |
| Topological Polar Surface Area | 103.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 367.0739 |
| Heavy Atoms | 26 |
| Complexity | 997.63727 |
Chemical Identifiers
| CAS Number | 331261-89-3 |
|---|---|
| SMILES | CSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=CC=C4[N+](=O)[O-])N=N1 |
Product Overview
AB00086877-01 (CAS 331261-89-3), with molecular formula C17H13N5O3S and molecular weight 367.07 g/mol. IUPAC: 3-methylsulfanyl-6-(2-nitrophenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of AB00086877-01
Property Insights of AB00086877-01
The XLogP value of 3.6718 indicates that AB00086877-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.07 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00086877-01. Following Lipinski's Rule of Five, AB00086877-01 has 1 hydrogen bond donor(s) and 8 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 AB00086877-01?
The CAS number of AB00086877-01 is 331261-89-3.
What is the molecular formula of AB00086877-01?
The molecular formula of AB00086877-01 is C17H13N5O3S.
What is the molecular weight of AB00086877-01?
The molecular weight of AB00086877-01 is 367.07 g/mol.
Where can I buy AB00086877-01?
You can request a quote for AB00086877-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00086877-01?
Yes, KEHONG BIO provides custom synthesis services for AB00086877-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.