BAS 04377942
TL;DR: BAS 04377942 (CAS 347352-67-4) is a chemical compound with molecular formula C31H34N2O4 and molecular weight 498.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-butoxyphenyl)-9-(3,4-dimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: BAS 04377942, BIM-0022073.P001, 11-(2-butoxyphenyl)-3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 6-(2-butoxyphenyl)-9-(3,4-dimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one, 3-(3,4-dimethoxyphenyl)-11-(2-butoxyphenyl)-2,3,4-trihydro-5H,10H,11H-benzo[b] benzo[2,1-f]1,4-diazepin-1-one
| Molecular Formula | C31H34N2O4 |
|---|---|
| Molecular Weight | 498.25 g/mol |
| LogP | 6.8622 |
| Topological Polar Surface Area | 68.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 498.25186 |
| Heavy Atoms | 37 |
| Complexity | 1316.0651 |
Chemical Identifiers
| CAS Number | 347352-67-4 |
|---|---|
| SMILES | CCCCOC1=CC=CC=C1C2C3=C(CC(CC3=O)C4=CC(=C(C=C4)OC)OC)NC5=CC=CC=C5N2 |
Product Overview
BAS 04377942 (CAS 347352-67-4), with molecular formula C31H34N2O4 and molecular weight 498.25 g/mol. IUPAC: 6-(2-butoxyphenyl)-9-(3,4-dimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BAS 04377942
Property Insights of BAS 04377942
The XLogP value of 6.8622 indicates that BAS 04377942 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.82 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04377942. Following Lipinski's Rule of Five, BAS 04377942 has 2 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 04377942?
The CAS number of BAS 04377942 is 347352-67-4.
What is the molecular formula of BAS 04377942?
The molecular formula of BAS 04377942 is C31H34N2O4.
What is the molecular weight of BAS 04377942?
The molecular weight of BAS 04377942 is 498.25 g/mol.
Where can I buy BAS 04377942?
You can request a quote for BAS 04377942 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04377942?
Yes, KEHONG BIO provides custom synthesis services for BAS 04377942 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.