BAS 06898801
TL;DR: BAS 06898801 (CAS 82408-03-5) is a chemical compound with molecular formula C21H22N2O2 and molecular weight 334.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-hydroxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: BAS 06898801, J3.704.142D, 11-(4-hydroxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 6-(4-hydroxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one, 10-(4-hydroxyphenyl)-14,14-dimethyl-2,9-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7-tetraen-12-one
| Molecular Formula | C21H22N2O2 |
|---|---|
| Molecular Weight | 334.17 g/mol |
| LogP | 4.6141 |
| Topological Polar Surface Area | 61.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 334.16812 |
| Heavy Atoms | 25 |
| Complexity | 865.7197 |
Chemical Identifiers
| CAS Number | 82408-03-5 |
|---|---|
| SMILES | CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CC=C(C=C4)O)C(=O)C1)C |
Product Overview
BAS 06898801 (CAS 82408-03-5), with molecular formula C21H22N2O2 and molecular weight 334.17 g/mol. IUPAC: 6-(4-hydroxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BAS 06898801
Property Insights of BAS 06898801
The XLogP value of 4.6141 indicates that BAS 06898801 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.36 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06898801. Following Lipinski's Rule of Five, BAS 06898801 has 3 hydrogen bond donor(s) and 4 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 06898801?
The CAS number of BAS 06898801 is 82408-03-5.
What is the molecular formula of BAS 06898801?
The molecular formula of BAS 06898801 is C21H22N2O2.
What is the molecular weight of BAS 06898801?
The molecular weight of BAS 06898801 is 334.17 g/mol.
Where can I buy BAS 06898801?
You can request a quote for BAS 06898801 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06898801?
Yes, KEHONG BIO provides custom synthesis services for BAS 06898801 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.