AB00101028-01
TL;DR: AB00101028-01 (CAS 5926-36-3) is a chemical compound with molecular formula C24H25N3O6 and molecular weight 451.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-6-(4-hydroxy-3-methoxy-5-nitrophenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: AB00101028-01, 5-acetyl-6-(4-hydroxy-3-methoxy-5-nitrophenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one, 10-Acetyl-11-(4-hydroxy-3-methoxy-5-nitrophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C24H25N3O6 |
|---|---|
| Molecular Weight | 451.17 g/mol |
| LogP | 4.4719 |
| Topological Polar Surface Area | 122.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 451.17435 |
| Heavy Atoms | 33 |
| Complexity | 1216.6754 |
Chemical Identifiers
| CAS Number | 5926-36-3 |
|---|---|
| SMILES | CC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC(=C(C(=C4)OC)O)[N+](=O)[O-] |
Product Overview
AB00101028-01 (CAS 5926-36-3), with molecular formula C24H25N3O6 and molecular weight 451.17 g/mol. IUPAC: 5-acetyl-6-(4-hydroxy-3-methoxy-5-nitrophenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of AB00101028-01
Property Insights of AB00101028-01
The XLogP value of 4.4719 indicates that AB00101028-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.01 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00101028-01. Following Lipinski's Rule of Five, AB00101028-01 has 2 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 AB00101028-01?
The CAS number of AB00101028-01 is 5926-36-3.
What is the molecular formula of AB00101028-01?
The molecular formula of AB00101028-01 is C24H25N3O6.
What is the molecular weight of AB00101028-01?
The molecular weight of AB00101028-01 is 451.17 g/mol.
Where can I buy AB00101028-01?
You can request a quote for AB00101028-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00101028-01?
Yes, KEHONG BIO provides custom synthesis services for AB00101028-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.