BAS 02169960
TL;DR: BAS 02169960 (CAS 312622-64-3) is a chemical compound with molecular formula C28H28N2O4 and molecular weight 456.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-ethoxy-4-hydroxyphenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: BAS 02169960, 11-(3-ethoxy-4-hydroxyphenyl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 6-(3-ethoxy-4-hydroxyphenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one, 11-(3-Ethoxy-4-hydroxy-phenyl)-3-(4-methoxy-phenyl)-2,3,4,5,10,11-hexahydro-dibe, 10-(3-ETHOXY-4-HYDROXYPHENYL)-14-(4-METHOXYPHENYL)-2,9-DIAZATRICYCLO[9.4.0.0(3),?]PENTADECA-1(11),3,5,7-TETRAEN-12-ONE
| Molecular Formula | C28H28N2O4 |
|---|---|
| Molecular Weight | 456.20 g/mol |
| LogP | 5.779 |
| Topological Polar Surface Area | 79.82 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.2049 |
| Heavy Atoms | 34 |
| Complexity | 1249.5159 |
Chemical Identifiers
| CAS Number | 312622-64-3 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)OC)NC5=CC=CC=C5N2)O |
Product Overview
BAS 02169960 (CAS 312622-64-3), with molecular formula C28H28N2O4 and molecular weight 456.20 g/mol. IUPAC: 6-(3-ethoxy-4-hydroxyphenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BAS 02169960
Property Insights of BAS 02169960
The XLogP value of 5.779 indicates that BAS 02169960 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.82 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02169960. Following Lipinski's Rule of Five, BAS 02169960 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02169960?
The CAS number of BAS 02169960 is 312622-64-3.
What is the molecular formula of BAS 02169960?
The molecular formula of BAS 02169960 is C28H28N2O4.
What is the molecular weight of BAS 02169960?
The molecular weight of BAS 02169960 is 456.20 g/mol.
Where can I buy BAS 02169960?
You can request a quote for BAS 02169960 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02169960?
Yes, KEHONG BIO provides custom synthesis services for BAS 02169960 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.