BAS 00394118
TL;DR: BAS 00394118 (CAS 331632-76-9) is a chemical compound with molecular formula C31H26N2O5 and molecular weight 506.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,7-diethyl-4-(2-nitrophenyl)-8,9-diphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione
Also Known As: BAS 00394118, BIM-0029482.P001, A1227/0056566, 4,7-diethyl-2-(2-nitrophenyl)-5,6-diphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione, 1,7-Diethyl-4-(2-nitro-phenyl)-8,9-diphenyl-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-en
| Molecular Formula | C31H26N2O5 |
|---|---|
| Molecular Weight | 506.18 g/mol |
| LogP | 5.7005 |
| Topological Polar Surface Area | 97.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 506.18417 |
| Heavy Atoms | 38 |
| Complexity | 1461.2041 |
Chemical Identifiers
| CAS Number | 331632-76-9 |
|---|---|
| SMILES | CCC12C3C(C(=O)N(C3=O)C4=CC=CC=C4[N+](=O)[O-])C(C1=O)(C(=C2C5=CC=CC=C5)C6=CC=CC=C6)CC |
Product Overview
BAS 00394118 (CAS 331632-76-9), with molecular formula C31H26N2O5 and molecular weight 506.18 g/mol. IUPAC: 1,7-diethyl-4-(2-nitrophenyl)-8,9-diphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione.
Chemical Property Profile of BAS 00394118
Property Insights of BAS 00394118
The XLogP value of 5.7005 indicates that BAS 00394118 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.59 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00394118. Following Lipinski's Rule of Five, BAS 00394118 has 0 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 00394118?
The CAS number of BAS 00394118 is 331632-76-9.
What is the molecular formula of BAS 00394118?
The molecular formula of BAS 00394118 is C31H26N2O5.
What is the molecular weight of BAS 00394118?
The molecular weight of BAS 00394118 is 506.18 g/mol.
Where can I buy BAS 00394118?
You can request a quote for BAS 00394118 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00394118?
Yes, KEHONG BIO provides custom synthesis services for BAS 00394118 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.