BAS 00667413
TL;DR: BAS 00667413 (CAS 145628-71-3) is a chemical compound with molecular formula C21H21N3O3 and molecular weight 363.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,9-dimethyl-6-(3-nitrophenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: BAS 00667413, J3.704.136J, AB00080863-01, 9,9-dimethyl-6-(3-nitrophenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one, AJ-077/33270034
| Molecular Formula | C21H21N3O3 |
|---|---|
| Molecular Weight | 363.16 g/mol |
| LogP | 4.8167 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 363.1583 |
| Heavy Atoms | 27 |
| Complexity | 978.142 |
Chemical Identifiers
| CAS Number | 145628-71-3 |
|---|---|
| SMILES | CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C1)C |
Product Overview
BAS 00667413 (CAS 145628-71-3), with molecular formula C21H21N3O3 and molecular weight 363.16 g/mol. IUPAC: 9,9-dimethyl-6-(3-nitrophenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BAS 00667413
Property Insights of BAS 00667413
The XLogP value of 4.8167 indicates that BAS 00667413 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00667413. Following Lipinski's Rule of Five, BAS 00667413 has 2 hydrogen bond donor(s) and 5 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 BAS 00667413?
The CAS number of BAS 00667413 is 145628-71-3.
What is the molecular formula of BAS 00667413?
The molecular formula of BAS 00667413 is C21H21N3O3.
What is the molecular weight of BAS 00667413?
The molecular weight of BAS 00667413 is 363.16 g/mol.
Where can I buy BAS 00667413?
You can request a quote for BAS 00667413 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00667413?
Yes, KEHONG BIO provides custom synthesis services for BAS 00667413 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.