Dimethyl 2-(1-phenyl-allyl)-malonate
TL;DR: Dimethyl 2-(1-phenyl-allyl)-malonate (CAS 87802-78-6) is a chemical compound with molecular formula C14H16O4 and molecular weight 248.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(1-phenylprop-2-enyl)propanedioate
Also Known As: Dimethyl 2-(1-phenyl-allyl)-malonate, (R)-dimethyl 2-(1-phenylallyl)malonate, (1-Phenylallyl)malonic acid dimethyl ester, dimethyl 2-(1-phenyl-2-propenyl)malonate, alpha-Vinylbenzylmalonic acid dimethyl ester
| Molecular Formula | C14H16O4 |
|---|---|
| Molecular Weight | 248.10 g/mol |
| LogP | 1.9184 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.10486 |
| Heavy Atoms | 18 |
| Complexity | 408.67996 |
Chemical Identifiers
| CAS Number | 87802-78-6 |
|---|---|
| SMILES | COC(=O)C(C(C=C)C1=CC=CC=C1)C(=O)OC |
Product Overview
Dimethyl 2-(1-phenyl-allyl)-malonate (CAS 87802-78-6), with molecular formula C14H16O4 and molecular weight 248.10 g/mol. IUPAC: dimethyl 2-(1-phenylprop-2-enyl)propanedioate.
Chemical Property Profile of Dimethyl 2-(1-phenyl-allyl)-malonate
Property Insights of Dimethyl 2-(1-phenyl-allyl)-malonate
The XLogP value of 1.9184 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-(1-phenyl-allyl)-malonate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 2-(1-phenyl-allyl)-malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 2-(1-phenyl-allyl)-malonate 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-(1-phenyl-allyl)-malonate?
The CAS number of Dimethyl 2-(1-phenyl-allyl)-malonate is 87802-78-6.
What is the molecular formula of Dimethyl 2-(1-phenyl-allyl)-malonate?
The molecular formula of Dimethyl 2-(1-phenyl-allyl)-malonate is C14H16O4.
What is the molecular weight of Dimethyl 2-(1-phenyl-allyl)-malonate?
The molecular weight of Dimethyl 2-(1-phenyl-allyl)-malonate is 248.10 g/mol.
Where can I buy Dimethyl 2-(1-phenyl-allyl)-malonate?
You can request a quote for Dimethyl 2-(1-phenyl-allyl)-malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-(1-phenyl-allyl)-malonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-(1-phenyl-allyl)-malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.