E9R6AC2H7W
TL;DR: E9R6AC2H7W (CAS 385826-14-2) is a chemical compound with molecular formula C15H18O3 and molecular weight 246.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (2E)-2-benzylidene-3-oxobutanoate
Also Known As: tert-butyl (2E)-2-benzylidene-3-oxobutanoate, 1,1-Dimethylethyl (2E)-3-oxo-2-(phenylmethylene)butanoate, 1,1-Dimethylethyl 3-oxo-2-(phenylmethylene)butanoate, (E)-, Butanoic acid, 3-oxo-2-(phenylmethylene)-, 1,1-dimethylethyl ester, (2E)-
| Molecular Formula | C15H18O3 |
|---|---|
| Molecular Weight | 246.13 g/mol |
| LogP | 3.0007 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.1256 |
| Heavy Atoms | 18 |
| Complexity | 464.26212 |
Chemical Identifiers
| CAS Number | 385826-14-2 |
|---|---|
| SMILES | CC(=O)/C(=C\C1=CC=CC=C1)/C(=O)OC(C)(C)C |
Product Overview
E9R6AC2H7W (CAS 385826-14-2), with molecular formula C15H18O3 and molecular weight 246.13 g/mol. IUPAC: tert-butyl (2E)-2-benzylidene-3-oxobutanoate.
Chemical Property Profile of E9R6AC2H7W
Property Insights of E9R6AC2H7W
The XLogP value of 3.0007 indicates that E9R6AC2H7W is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, E9R6AC2H7W exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, E9R6AC2H7W 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 E9R6AC2H7W?
The CAS number of E9R6AC2H7W is 385826-14-2.
What is the molecular formula of E9R6AC2H7W?
The molecular formula of E9R6AC2H7W is C15H18O3.
What is the molecular weight of E9R6AC2H7W?
The molecular weight of E9R6AC2H7W is 246.13 g/mol.
Where can I buy E9R6AC2H7W?
You can request a quote for E9R6AC2H7W directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for E9R6AC2H7W?
Yes, KEHONG BIO provides custom synthesis services for E9R6AC2H7W and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.