BAS 00512661
TL;DR: BAS 00512661 (CAS 330656-48-9) is a chemical compound with molecular formula C31H34N2O4 and molecular weight 498.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-2-cyano-3-[3-[[3-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2,4,6-trimethylphenyl]methyl]-2,4,6-trimethylphenyl]prop-2-enoate
Also Known As: BAS 00512661, AE-848/32717029, ethyl (E)-2-cyano-3-[3-[[3-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2,4,6-trimethylphenyl]methyl]-2,4,6-trimethylphenyl]prop-2-enoate, ethyl 2-cyano-3-{3-[3-(2-cyano-3-ethoxy-3-oxo-1-propenyl)-2,4,6-trimethylbenzyl]-2,4,6-trimethylphenyl}acrylate, (2E,2'E)-diethyl 3,3'-(methylenebis(2,4,6-trimethyl-3,1-phenylene))bis(2-cyanoacrylate)
| Molecular Formula | C31H34N2O4 |
|---|---|
| Molecular Weight | 498.25 g/mol |
| LogP | 6.06808 |
| Topological Polar Surface Area | 100.18 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 498.25186 |
| Heavy Atoms | 37 |
| Complexity | 1276.3741 |
Chemical Identifiers
| CAS Number | 330656-48-9 |
|---|---|
| SMILES | CCOC(=O)/C(=C/C1=C(C=C(C(=C1C)CC2=C(C(=C(C=C2C)C)/C=C(/C(=O)OCC)\C#N)C)C)C)/C#N |
Product Overview
BAS 00512661 (CAS 330656-48-9), with molecular formula C31H34N2O4 and molecular weight 498.25 g/mol. IUPAC: ethyl (E)-2-cyano-3-[3-[[3-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2,4,6-trimethylphenyl]methyl]-2,4,6-trimethylphenyl]prop-2-enoate.
Chemical Property Profile of BAS 00512661
Property Insights of BAS 00512661
The XLogP value of 6.06808 indicates that BAS 00512661 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.18 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00512661. Following Lipinski's Rule of Five, BAS 00512661 has 0 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 00512661?
The CAS number of BAS 00512661 is 330656-48-9.
What is the molecular formula of BAS 00512661?
The molecular formula of BAS 00512661 is C31H34N2O4.
What is the molecular weight of BAS 00512661?
The molecular weight of BAS 00512661 is 498.25 g/mol.
Where can I buy BAS 00512661?
You can request a quote for BAS 00512661 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00512661?
Yes, KEHONG BIO provides custom synthesis services for BAS 00512661 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.