BIM-0039736.P001
TL;DR: BIM-0039736.P001 (CAS 354546-81-9) is a chemical compound with molecular formula C25H28N2O4 and molecular weight 420.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-6-(3-ethoxy-4-hydroxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: BIM-0039736.P001, 10-acetyl-11-(3-ethoxy-4-hydroxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 5-acetyl-6-(3-ethoxy-4-hydroxy-phenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one, 5-acetyl-6-(3-ethoxy-4-hydroxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C25H28N2O4 |
|---|---|
| Molecular Weight | 420.20 g/mol |
| LogP | 4.9538 |
| Topological Polar Surface Area | 78.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 420.2049 |
| Heavy Atoms | 31 |
| Complexity | 1086.6796 |
Chemical Identifiers
| CAS Number | 354546-81-9 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC4=CC=CC=C4N2C(=O)C)O |
Product Overview
BIM-0039736.P001 (CAS 354546-81-9), with molecular formula C25H28N2O4 and molecular weight 420.20 g/mol. IUPAC: 5-acetyl-6-(3-ethoxy-4-hydroxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BIM-0039736.P001
Property Insights of BIM-0039736.P001
The XLogP value of 4.9538 indicates that BIM-0039736.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.87 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0039736.P001. Following Lipinski's Rule of Five, BIM-0039736.P001 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 BIM-0039736.P001?
The CAS number of BIM-0039736.P001 is 354546-81-9.
What is the molecular formula of BIM-0039736.P001?
The molecular formula of BIM-0039736.P001 is C25H28N2O4.
What is the molecular weight of BIM-0039736.P001?
The molecular weight of BIM-0039736.P001 is 420.20 g/mol.
Where can I buy BIM-0039736.P001?
You can request a quote for BIM-0039736.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0039736.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0039736.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.