2-Propenoic acid, 3-chloro-3-phenyl-, (E)-
TL;DR: 2-Propenoic acid, 3-chloro-3-phenyl-, (E)- (CAS 21602-56-2) is a chemical compound with molecular formula C9H7ClO2 and molecular weight 182.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-chloro-3-phenylprop-2-enoic acid
Also Known As: beta-chlorocinnamic acid, Cinnamic acid, (E)-, 2-Propenoic acid, (E)-, (Z)-beta-Chlorocinnamic acid, 3-chloro-3-phenylprop-2-enoic acid
| Molecular Formula | C9H7ClO2 |
|---|---|
| Molecular Weight | 182.01 g/mol |
| LogP | 2.3509 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.01346 |
| Heavy Atoms | 12 |
| Complexity | 303.5644 |
Chemical Identifiers
| CAS Number | 21602-56-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C(=C/C(=O)O)/Cl |
Product Overview
2-Propenoic acid, 3-chloro-3-phenyl-, (E)- (CAS 21602-56-2), with molecular formula C9H7ClO2 and molecular weight 182.01 g/mol. IUPAC: (Z)-3-chloro-3-phenylprop-2-enoic acid.
Chemical Property Profile of 2-Propenoic acid, 3-chloro-3-phenyl-, (E)-
Property Insights of 2-Propenoic acid, 3-chloro-3-phenyl-, (E)-
The XLogP value of 2.3509 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 3-chloro-3-phenyl-, (E)-. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Propenoic acid, 3-chloro-3-phenyl-, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 3-chloro-3-phenyl-, (E)- has 1 hydrogen bond donor(s) and 1 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 2-Propenoic acid, 3-chloro-3-phenyl-, (E)-?
The CAS number of 2-Propenoic acid, 3-chloro-3-phenyl-, (E)- is 21602-56-2.
What is the molecular formula of 2-Propenoic acid, 3-chloro-3-phenyl-, (E)-?
The molecular formula of 2-Propenoic acid, 3-chloro-3-phenyl-, (E)- is C9H7ClO2.
What is the molecular weight of 2-Propenoic acid, 3-chloro-3-phenyl-, (E)-?
The molecular weight of 2-Propenoic acid, 3-chloro-3-phenyl-, (E)- is 182.01 g/mol.
Where can I buy 2-Propenoic acid, 3-chloro-3-phenyl-, (E)-?
You can request a quote for 2-Propenoic acid, 3-chloro-3-phenyl-, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 3-chloro-3-phenyl-, (E)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 3-chloro-3-phenyl-, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.