BAS 02170197
TL;DR: BAS 02170197 (CAS 312698-08-1) is a chemical compound with molecular formula C27H25FN2O3 and molecular weight 444.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3,4-dimethoxyphenyl)-6-(2-fluorophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: BAS 02170197, A2439/0103363, 3-(3,4-dimethoxyphenyl)-11-(2-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 9-(3,4-dimethoxyphenyl)-6-(2-fluorophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one, 14-(3,4-dimethoxyphenyl)-10-(2-fluorophenyl)-2,9-diazatricyclo[9.4.0.0(3),?]pentadeca-1(11),3,5,7-tetraen-12-one
| Molecular Formula | C27H25FN2O3 |
|---|---|
| Molecular Weight | 444.18 g/mol |
| LogP | 5.8224 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.1849 |
| Heavy Atoms | 33 |
| Complexity | 1253.6188 |
Chemical Identifiers
| CAS Number | 312698-08-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC=CC=C5F)C(=O)C2)OC |
Product Overview
BAS 02170197 (CAS 312698-08-1), with molecular formula C27H25FN2O3 and molecular weight 444.18 g/mol. IUPAC: 9-(3,4-dimethoxyphenyl)-6-(2-fluorophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BAS 02170197
Property Insights of BAS 02170197
The XLogP value of 5.8224 indicates that BAS 02170197 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.59 Ų, BAS 02170197 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02170197 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02170197?
The CAS number of BAS 02170197 is 312698-08-1.
What is the molecular formula of BAS 02170197?
The molecular formula of BAS 02170197 is C27H25FN2O3.
What is the molecular weight of BAS 02170197?
The molecular weight of BAS 02170197 is 444.18 g/mol.
Where can I buy BAS 02170197?
You can request a quote for BAS 02170197 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02170197?
Yes, KEHONG BIO provides custom synthesis services for BAS 02170197 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.