BAS 02101809
TL;DR: BAS 02101809 (CAS 333307-85-0) is a chemical compound with molecular formula C28H26N2O2 and molecular weight 422.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-6-(4-methylphenyl)-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: BAS 02101809, 10-Acetyl-11-(4-methylphenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,E][1,4]diazepin-1-one, 5-acetyl-6-(4-methylphenyl)-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one, 5-acetyl-9-phenyl-6-(p-tolyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one, 10-acetyl-11-(4-methylphenyl)-1-oxo-3-phenyl-2,3,4-trihydro-5H,11H-benzo[b]ben zo[2,1-f]1,4-diazepine
| Molecular Formula | C28H26N2O2 |
|---|---|
| Molecular Weight | 422.20 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 422.19943 |
| Heavy Atoms | 32 |
| Complexity | 745.0 |
Chemical Identifiers
| CAS Number | 333307-85-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC5=CC=CC=C5N2C(=O)C |
| InChIKey | NRLLPGQHADAYFB-UHFFFAOYSA-N |
Product Overview
BAS 02101809 (CAS 333307-85-0), with molecular formula C28H26N2O2 and molecular weight 422.20 g/mol. IUPAC: 5-acetyl-6-(4-methylphenyl)-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BAS 02101809
Property Insights of BAS 02101809
The XLogP value of 4.5 indicates that BAS 02101809 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.4 Ų, BAS 02101809 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02101809 has 1 hydrogen bond donor(s) and 3 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 02101809?
The CAS number of BAS 02101809 is 333307-85-0.
What is the molecular formula of BAS 02101809?
The molecular formula of BAS 02101809 is C28H26N2O2.
What is the molecular weight of BAS 02101809?
The molecular weight of BAS 02101809 is 422.20 g/mol.
Where can I buy BAS 02101809?
You can request a quote for BAS 02101809 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02101809?
Yes, KEHONG BIO provides custom synthesis services for BAS 02101809 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.