Dimethyl 2-benzylidenebutanedioate
TL;DR: Dimethyl 2-benzylidenebutanedioate (CAS 80459-39-8) is a chemical compound with molecular formula C13H14O4 and molecular weight 234.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-benzylidenebutanedioate
Also Known As: Dimethyl 2-benzylidenebutanedioate, Dimethyl 2-benzylidenesuccinate, dimethyl (E)-2-benzylidenesuccinate, Butanedioic acid, (phenylmethylene)-, dimethyl ester, (E)-
| Molecular Formula | C13H14O4 |
|---|---|
| Molecular Weight | 234.09 g/mol |
| LogP | 1.8061 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.0892 |
| Heavy Atoms | 17 |
| Complexity | 420.30542 |
Chemical Identifiers
| CAS Number | 80459-39-8 |
|---|---|
| SMILES | COC(=O)CC(=CC1=CC=CC=C1)C(=O)OC |
Product Overview
Dimethyl 2-benzylidenebutanedioate (CAS 80459-39-8), with molecular formula C13H14O4 and molecular weight 234.09 g/mol. IUPAC: dimethyl 2-benzylidenebutanedioate.
Chemical Property Profile of Dimethyl 2-benzylidenebutanedioate
Property Insights of Dimethyl 2-benzylidenebutanedioate
The XLogP value of 1.8061 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-benzylidenebutanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 2-benzylidenebutanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 2-benzylidenebutanedioate has 0 hydrogen bond donor(s) and 4 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 Dimethyl 2-benzylidenebutanedioate?
The CAS number of Dimethyl 2-benzylidenebutanedioate is 80459-39-8.
What is the molecular formula of Dimethyl 2-benzylidenebutanedioate?
The molecular formula of Dimethyl 2-benzylidenebutanedioate is C13H14O4.
What is the molecular weight of Dimethyl 2-benzylidenebutanedioate?
The molecular weight of Dimethyl 2-benzylidenebutanedioate is 234.09 g/mol.
Where can I buy Dimethyl 2-benzylidenebutanedioate?
You can request a quote for Dimethyl 2-benzylidenebutanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-benzylidenebutanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-benzylidenebutanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.