BAS 02170188
TL;DR: BAS 02170188 (CAS 312698-00-3) is a chemical compound with molecular formula C26H25N3O3 and molecular weight 427.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3,4-dimethoxyphenyl)-6-pyridin-4-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: BAS 02170188, BIM-0044437.P001, A2268/0095573, 9-(3,4-dimethoxyphenyl)-6-pyridin-4-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one, 3-(3,4-dimethoxyphenyl)-11-(4-pyridinyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C26H25N3O3 |
|---|---|
| Molecular Weight | 427.19 g/mol |
| LogP | 5.0783 |
| Topological Polar Surface Area | 72.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 427.1896 |
| Heavy Atoms | 32 |
| Complexity | 1189.9313 |
Chemical Identifiers
| CAS Number | 312698-00-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC=NC=C5)C(=O)C2)OC |
Product Overview
BAS 02170188 (CAS 312698-00-3), with molecular formula C26H25N3O3 and molecular weight 427.19 g/mol. IUPAC: 9-(3,4-dimethoxyphenyl)-6-pyridin-4-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BAS 02170188
Property Insights of BAS 02170188
The XLogP value of 5.0783 indicates that BAS 02170188 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 02170188. Following Lipinski's Rule of Five, BAS 02170188 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 02170188?
The CAS number of BAS 02170188 is 312698-00-3.
What is the molecular formula of BAS 02170188?
The molecular formula of BAS 02170188 is C26H25N3O3.
What is the molecular weight of BAS 02170188?
The molecular weight of BAS 02170188 is 427.19 g/mol.
Where can I buy BAS 02170188?
You can request a quote for BAS 02170188 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02170188?
Yes, KEHONG BIO provides custom synthesis services for BAS 02170188 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.