BAS 04377816
TL;DR: BAS 04377816 (CAS 297159-69-4) is a chemical compound with molecular formula C25H20F2N2O and molecular weight 402.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3,4-difluorophenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: BAS 04377816, BIM-0047853.P001, A2358/0099604, 11-(3,4-difluorophenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 6-(3,4-difluorophenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C25H20F2N2O |
|---|---|
| Molecular Weight | 402.15 g/mol |
| LogP | 5.9443 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 402.15436 |
| Heavy Atoms | 30 |
| Complexity | 1156.8201 |
Chemical Identifiers
| CAS Number | 297159-69-4 |
|---|---|
| SMILES | C1C(CC(=O)C2=C1NC3=CC=CC=C3NC2C4=CC(=C(C=C4)F)F)C5=CC=CC=C5 |
Product Overview
BAS 04377816 (CAS 297159-69-4), with molecular formula C25H20F2N2O and molecular weight 402.15 g/mol. IUPAC: 6-(3,4-difluorophenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BAS 04377816
Property Insights of BAS 04377816
The XLogP value of 5.9443 indicates that BAS 04377816 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, BAS 04377816 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 04377816 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 04377816?
The CAS number of BAS 04377816 is 297159-69-4.
What is the molecular formula of BAS 04377816?
The molecular formula of BAS 04377816 is C25H20F2N2O.
What is the molecular weight of BAS 04377816?
The molecular weight of BAS 04377816 is 402.15 g/mol.
Where can I buy BAS 04377816?
You can request a quote for BAS 04377816 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04377816?
Yes, KEHONG BIO provides custom synthesis services for BAS 04377816 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.