氯肉桂酸
TL;DR: 氯肉桂酸 (CAS 705-54-4) 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.
氯肉桂酸
2-chloro-3-phenylprop-2-enoic acid
Also Known As: chlorocinnamic acid, (2Z)-2-Chloro-3-phenylacrylic acid, 2-chloro-3-phenylprop-2-enoic acid, 2-chloro-3-phenyl-prop-2-enoic acid, 2-Propenoic acid, 2-chloro-3-phenyl-, (Z)-
| Molecular Formula | C9H7ClO2 |
|---|---|
| Molecular Weight | 182.01 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.01346 |
| Heavy Atoms | 12 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 705-54-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=C(C(=O)O)Cl |
| InChIKey | IWZNLKUVIIFUOG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯肉桂酸 (CAS 705-54-4), with molecular formula C9H7ClO2 and molecular weight 182.01 g/mol. IUPAC: 2-chloro-3-phenylprop-2-enoic acid.
Chemical Property Profile of 氯肉桂酸
Property Insights of 氯肉桂酸
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氯肉桂酸. With a topological polar surface area (TPSA) of 37.3 Ų, 氯肉桂酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯肉桂酸 has 1 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 氯肉桂酸?
The CAS number of 氯肉桂酸 is 705-54-4.
What is the molecular formula of 氯肉桂酸?
The molecular formula of 氯肉桂酸 is C9H7ClO2.
What is the molecular weight of 氯肉桂酸?
The molecular weight of 氯肉桂酸 is 182.01 g/mol.
Where can I buy 氯肉桂酸?
You can request a quote for 氯肉桂酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯肉桂酸?
Yes, KEHONG BIO provides custom synthesis services for 氯肉桂酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.