BAS 01095414
TL;DR: BAS 01095414 (CAS 329213-59-4) is a chemical compound with molecular formula C21H21FN2O and molecular weight 336.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-fluorophenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: BAS 01095414, 11-(3-fluorophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, BIM-0043869.P001, 6-(3-fluorophenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one, 11-(3-fluorophenyl)-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
| Molecular Formula | C21H21FN2O |
|---|---|
| Molecular Weight | 336.16 g/mol |
| LogP | 5.0476 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 336.1638 |
| Heavy Atoms | 25 |
| Complexity | 884.9697 |
Chemical Identifiers
| CAS Number | 329213-59-4 |
|---|---|
| SMILES | CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CC(=CC=C4)F)C(=O)C1)C |
Product Overview
BAS 01095414 (CAS 329213-59-4), with molecular formula C21H21FN2O and molecular weight 336.16 g/mol. IUPAC: 6-(3-fluorophenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BAS 01095414
Property Insights of BAS 01095414
The XLogP value of 5.0476 indicates that BAS 01095414 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 01095414 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01095414 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 01095414?
The CAS number of BAS 01095414 is 329213-59-4.
What is the molecular formula of BAS 01095414?
The molecular formula of BAS 01095414 is C21H21FN2O.
What is the molecular weight of BAS 01095414?
The molecular weight of BAS 01095414 is 336.16 g/mol.
Where can I buy BAS 01095414?
You can request a quote for BAS 01095414 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01095414?
Yes, KEHONG BIO provides custom synthesis services for BAS 01095414 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.