BAS 02170158
TL;DR: BAS 02170158 (CAS 312696-53-0) is a chemical compound with molecular formula C28H26N2O4 and molecular weight 454.19 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-(2-ethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: BAS 02170158, BIM-0044121.P001, 3-(1,3-benzodioxol-5-yl)-11-(2-ethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 9-(1,3-benzodioxol-5-yl)-6-(2-ethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one, 14-(2H-1,3-BENZODIOXOL-5-YL)-10-(2-ETHOXYPHENYL)-2,9-DIAZATRICYCLO[9.4.0.0(3),?]PENTADECA-1(11),3,5,7-TETRAEN-12-ONE
| Molecular Formula | C28H26N2O4 |
|---|---|
| Molecular Weight | 454.19 g/mol |
| LogP | 5.7935 |
| Topological Polar Surface Area | 68.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.18927 |
| Heavy Atoms | 34 |
| Complexity | 1299.0685 |
Chemical Identifiers
| CAS Number | 312696-53-0 |
|---|---|
| SMILES | CCOC1=CC=CC=C1C2C3=C(CC(CC3=O)C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C6N2 |
Product Overview
BAS 02170158 (CAS 312696-53-0), with molecular formula C28H26N2O4 and molecular weight 454.19 g/mol. IUPAC: 9-(1,3-benzodioxol-5-yl)-6-(2-ethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BAS 02170158
Property Insights of BAS 02170158
The XLogP value of 5.7935 indicates that BAS 02170158 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.82 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02170158. Following Lipinski's Rule of Five, BAS 02170158 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 02170158?
The CAS number of BAS 02170158 is 312696-53-0.
What is the molecular formula of BAS 02170158?
The molecular formula of BAS 02170158 is C28H26N2O4.
What is the molecular weight of BAS 02170158?
The molecular weight of BAS 02170158 is 454.19 g/mol.
Where can I buy BAS 02170158?
You can request a quote for BAS 02170158 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02170158?
Yes, KEHONG BIO provides custom synthesis services for BAS 02170158 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.