BAS 02170136
TL;DR: BAS 02170136 (CAS 312696-39-2) is a chemical compound with molecular formula C25H21N3O3 and molecular weight 411.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(1,3-benzodioxol-5-yl)-6-pyridin-4-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: BAS 02170136, US8993552, 39, 9-(1,3-benzodioxol-5-yl)-6-pyridin-4-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one, 14-(2H-1,3-benzodioxol-5-yl)-10-(pyridin-4-yl)-2,9-diazatricyclo[9.4.0.0(3),?]pentadeca-1(11),3(8),4,6-tetraen-12-one, 3-(1,3-benzodioxol-5-yl)-11-(pyridin-4-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C25H21N3O3 |
|---|---|
| Molecular Weight | 411.16 g/mol |
| LogP | 4.7898 |
| Topological Polar Surface Area | 72.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 411.1583 |
| Heavy Atoms | 31 |
| Complexity | 1205.6439 |
Chemical Identifiers
| CAS Number | 312696-39-2 |
|---|---|
| SMILES | C1C(CC(=O)C2=C1NC3=CC=CC=C3NC2C4=CC=NC=C4)C5=CC6=C(C=C5)OCO6 |
Product Overview
BAS 02170136 (CAS 312696-39-2), with molecular formula C25H21N3O3 and molecular weight 411.16 g/mol. IUPAC: 9-(1,3-benzodioxol-5-yl)-6-pyridin-4-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BAS 02170136
Property Insights of BAS 02170136
The XLogP value of 4.7898 indicates that BAS 02170136 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.48 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02170136. Following Lipinski's Rule of Five, BAS 02170136 has 2 hydrogen bond donor(s) and 6 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 BAS 02170136?
The CAS number of BAS 02170136 is 312696-39-2.
What is the molecular formula of BAS 02170136?
The molecular formula of BAS 02170136 is C25H21N3O3.
What is the molecular weight of BAS 02170136?
The molecular weight of BAS 02170136 is 411.16 g/mol.
Where can I buy BAS 02170136?
You can request a quote for BAS 02170136 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02170136?
Yes, KEHONG BIO provides custom synthesis services for BAS 02170136 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.