cinnamate
TL;DR: cinnamate (CAS 4151-45-5) is a chemical compound with molecular formula C9H7O2- and molecular weight 147.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylprop-2-enoate
Also Known As: cinnamate, cinnamoate, CINNAMIC ACID, 3-phenylprop-2-enoate, Cinnamic acid, ion(1-)
| Molecular Formula | C9H7O2- |
|---|---|
| Molecular Weight | 147.04 g/mol |
| LogP | 0.4497 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 147.0446 |
| Heavy Atoms | 11 |
| Complexity | 262.15103 |
Chemical Identifiers
| CAS Number | 4151-45-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC(=O)[O-] |
Product Overview
cinnamate (CAS 4151-45-5), with molecular formula C9H7O2- and molecular weight 147.04 g/mol. IUPAC: 3-phenylprop-2-enoate.
Chemical Property Profile of cinnamate
Property Insights of cinnamate
The XLogP value of 0.4497 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cinnamate. With a topological polar surface area (TPSA) of 40.13 Ų, cinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cinnamate has 0 hydrogen bond donor(s) and 2 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 cinnamate?
The CAS number of cinnamate is 4151-45-5.
What is the molecular formula of cinnamate?
The molecular formula of cinnamate is C9H7O2-.
What is the molecular weight of cinnamate?
The molecular weight of cinnamate is 147.04 g/mol.
Where can I buy cinnamate?
You can request a quote for cinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cinnamate?
Yes, KEHONG BIO provides custom synthesis services for cinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.