AB00101091-01
TL;DR: AB00101091-01 (CAS 423728-88-5) is a chemical compound with molecular formula C21H21N3O5 and molecular weight 395.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-9,9-dimethyl-6-(5-nitrofuran-2-yl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: AB00101091-01, 10-acetyl-11-{5-nitro-2-furyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 10-acetyl-3,3-dimethyl-11-(5-nitrofuran-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 5-acetyl-9,9-dimethyl-6-(5-nitrofuran-2-yl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one, 1-[1-hydroxy-3,3-dimethyl-11-(5-nitrofuran-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone
| Molecular Formula | C21H21N3O5 |
|---|---|
| Molecular Weight | 395.15 g/mol |
| LogP | 4.3507 |
| Topological Polar Surface Area | 105.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 395.14813 |
| Heavy Atoms | 29 |
| Complexity | 1065.7738 |
Chemical Identifiers
| CAS Number | 423728-88-5 |
|---|---|
| SMILES | CC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC=C(O4)[N+](=O)[O-] |
Product Overview
AB00101091-01 (CAS 423728-88-5), with molecular formula C21H21N3O5 and molecular weight 395.15 g/mol. IUPAC: 5-acetyl-9,9-dimethyl-6-(5-nitrofuran-2-yl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of AB00101091-01
Property Insights of AB00101091-01
The XLogP value of 4.3507 indicates that AB00101091-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.69 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00101091-01. Following Lipinski's Rule of Five, AB00101091-01 has 1 hydrogen bond donor(s) and 6 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 AB00101091-01?
The CAS number of AB00101091-01 is 423728-88-5.
What is the molecular formula of AB00101091-01?
The molecular formula of AB00101091-01 is C21H21N3O5.
What is the molecular weight of AB00101091-01?
The molecular weight of AB00101091-01 is 395.15 g/mol.
Where can I buy AB00101091-01?
You can request a quote for AB00101091-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00101091-01?
Yes, KEHONG BIO provides custom synthesis services for AB00101091-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.