BAS 00401645
TL;DR: BAS 00401645 (CAS 331632-69-0) is a chemical compound with molecular formula C34H33NO3 and molecular weight 503.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,7-diethyl-8,9-diphenyl-4-(2,4,6-trimethylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione
Also Known As: BAS 00401645, A1225/0056466, 1,7-diethyl-4-mesityl-8,9-diphenyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5,10-trione, 4,7-DIETHYL-2-MESITYL-5,6-DIPHENYL-3A,4,7,7A-TETRAHYDRO-1H-4,7-METHANOISOINDOLE-1,3,8(2H)-TRIONE, 1,7-diethyl-8,9-diphenyl-4-(2,4,6-trimethylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione
| Molecular Formula | C34H33NO3 |
|---|---|
| Molecular Weight | 503.25 g/mol |
| LogP | 6.71756 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 503.24603 |
| Heavy Atoms | 38 |
| Complexity | 1427.9055 |
Chemical Identifiers
| CAS Number | 331632-69-0 |
|---|---|
| SMILES | CCC12C3C(C(=O)N(C3=O)C4=C(C=C(C=C4C)C)C)C(C1=O)(C(=C2C5=CC=CC=C5)C6=CC=CC=C6)CC |
Product Overview
BAS 00401645 (CAS 331632-69-0), with molecular formula C34H33NO3 and molecular weight 503.25 g/mol. IUPAC: 1,7-diethyl-8,9-diphenyl-4-(2,4,6-trimethylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione.
Chemical Property Profile of BAS 00401645
Property Insights of BAS 00401645
The XLogP value of 6.71756 indicates that BAS 00401645 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.45 Ų, BAS 00401645 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00401645 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00401645?
The CAS number of BAS 00401645 is 331632-69-0.
What is the molecular formula of BAS 00401645?
The molecular formula of BAS 00401645 is C34H33NO3.
What is the molecular weight of BAS 00401645?
The molecular weight of BAS 00401645 is 503.25 g/mol.
Where can I buy BAS 00401645?
You can request a quote for BAS 00401645 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00401645?
Yes, KEHONG BIO provides custom synthesis services for BAS 00401645 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.