BAS 00861785
TL;DR: BAS 00861785 (CAS 470694-58-7) is a chemical compound with molecular formula C29H34N2O3 and molecular weight 458.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-oxo-2-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)ethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
Also Known As: BAS 00861785, BIM-0029689.P001, 2-[2-oxo-2-(2,2,4,6-tetramethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethyl]hexahydro-1H-isoindole-1,3(2H)-dione, 2-[2-oxo-2-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)ethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione, 2-(2-oxo-2-(2,2,4,6-tetramethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethyl)hexahydro-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C29H34N2O3 |
|---|---|
| Molecular Weight | 458.26 g/mol |
| LogP | 4.99152 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 458.25696 |
| Heavy Atoms | 34 |
| Complexity | 1131.2206 |
Chemical Identifiers
| CAS Number | 470694-58-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C(CC2(C)C3=CC=CC=C3)(C)C)C(=O)CN4C(=O)C5CCCCC5C4=O |
Product Overview
BAS 00861785 (CAS 470694-58-7), with molecular formula C29H34N2O3 and molecular weight 458.26 g/mol. IUPAC: 2-[2-oxo-2-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)ethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.
Chemical Property Profile of BAS 00861785
Property Insights of BAS 00861785
The XLogP value of 4.99152 indicates that BAS 00861785 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.69 Ų, BAS 00861785 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00861785 has 0 hydrogen bond donor(s) and 3 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 00861785?
The CAS number of BAS 00861785 is 470694-58-7.
What is the molecular formula of BAS 00861785?
The molecular formula of BAS 00861785 is C29H34N2O3.
What is the molecular weight of BAS 00861785?
The molecular weight of BAS 00861785 is 458.26 g/mol.
Where can I buy BAS 00861785?
You can request a quote for BAS 00861785 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00861785?
Yes, KEHONG BIO provides custom synthesis services for BAS 00861785 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.