AB00113251-01
TL;DR: AB00113251-01 (CAS 430460-39-2) is a chemical compound with molecular formula C24H19N5O4S and molecular weight 473.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfanyl-6-(2-methoxy-5-nitrophenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: AB00113251-01, 6,7-Dihydro-6-(2-methoxy-5-nitrophenyl)-3-[(phenylmethyl)thio]-1,2,4-triazino[5,6-d][3,1]benzoxazepine, 3-benzylsulfanyl-6-(2-methoxy-5-nitrophenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 3-(Benzylsulfanyl)-6-(2-methoxy-5-nitrophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 3-(benzylthio)-6-(2-methoxy-5-nitrophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C24H19N5O4S |
|---|---|
| Molecular Weight | 473.12 g/mol |
| LogP | 5.2508 |
| Topological Polar Surface Area | 112.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 473.11578 |
| Heavy Atoms | 34 |
| Complexity | 1352.5319 |
Chemical Identifiers
| CAS Number | 430460-39-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC5=CC=CC=C5 |
Product Overview
AB00113251-01 (CAS 430460-39-2), with molecular formula C24H19N5O4S and molecular weight 473.12 g/mol. IUPAC: 3-benzylsulfanyl-6-(2-methoxy-5-nitrophenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of AB00113251-01
Property Insights of AB00113251-01
The XLogP value of 5.2508 indicates that AB00113251-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.3 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00113251-01. Following Lipinski's Rule of Five, AB00113251-01 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00113251-01?
The CAS number of AB00113251-01 is 430460-39-2.
What is the molecular formula of AB00113251-01?
The molecular formula of AB00113251-01 is C24H19N5O4S.
What is the molecular weight of AB00113251-01?
The molecular weight of AB00113251-01 is 473.12 g/mol.
Where can I buy AB00113251-01?
You can request a quote for AB00113251-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00113251-01?
Yes, KEHONG BIO provides custom synthesis services for AB00113251-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.