![3-[5-chloro-2-(difluoromethoxy)phenyl]prop-2-enoic Acid structure](/static/products/885/885456-96-2.png)
3-[5-chloro-2-(difluoromethoxy)phenyl]prop-2-enoic Acid
TL;DR: 3-[5-chloro-2-(difluoromethoxy)phenyl]prop-2-enoic Acid (CAS 885456-96-2) is a chemical compound with molecular formula C10H7ClF2O3 and molecular weight 248.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-chloro-2-(difluoromethoxy)phenyl]prop-2-enoic acid
Also Known As: 5-Chloro-2-(difluoromethoxy)cinnamic acid, 3-[5-chloro-2-(difluoromethoxy)phenyl]prop-2-enoic Acid, 3-(5-Chloro-2-difluoromethoxy-phenyl)-acrylic acid, (2E)-3-[5-chloro-2-(difluoromethoxy)phenyl]prop-2-enoic acid
| Molecular Formula | C10H7ClF2O3 |
|---|---|
| Molecular Weight | 248.01 g/mol |
| LogP | 3.0392 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.00517 |
| Heavy Atoms | 16 |
| Complexity | 418.5252 |
Chemical Identifiers
| CAS Number | 885456-96-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)C=CC(=O)O)OC(F)F |
Product Overview
3-[5-chloro-2-(difluoromethoxy)phenyl]prop-2-enoic Acid (CAS 885456-96-2), with molecular formula C10H7ClF2O3 and molecular weight 248.01 g/mol. IUPAC: 3-[5-chloro-2-(difluoromethoxy)phenyl]prop-2-enoic acid.
Chemical Property Profile of 3-[5-chloro-2-(difluoromethoxy)phenyl]prop-2-enoic Acid
Property Insights of 3-[5-chloro-2-(difluoromethoxy)phenyl]prop-2-enoic Acid
The XLogP value of 3.0392 indicates that 3-[5-chloro-2-(difluoromethoxy)phenyl]prop-2-enoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, 3-[5-chloro-2-(difluoromethoxy)phenyl]prop-2-enoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[5-chloro-2-(difluoromethoxy)phenyl]prop-2-enoic Acid 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 3-[5-chloro-2-(difluoromethoxy)phenyl]prop-2-enoic Acid?
The CAS number of 3-[5-chloro-2-(difluoromethoxy)phenyl]prop-2-enoic Acid is 885456-96-2.
What is the molecular formula of 3-[5-chloro-2-(difluoromethoxy)phenyl]prop-2-enoic Acid?
The molecular formula of 3-[5-chloro-2-(difluoromethoxy)phenyl]prop-2-enoic Acid is C10H7ClF2O3.
What is the molecular weight of 3-[5-chloro-2-(difluoromethoxy)phenyl]prop-2-enoic Acid?
The molecular weight of 3-[5-chloro-2-(difluoromethoxy)phenyl]prop-2-enoic Acid is 248.01 g/mol.
Where can I buy 3-[5-chloro-2-(difluoromethoxy)phenyl]prop-2-enoic Acid?
You can request a quote for 3-[5-chloro-2-(difluoromethoxy)phenyl]prop-2-enoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[5-chloro-2-(difluoromethoxy)phenyl]prop-2-enoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-chloro-2-(difluoromethoxy)phenyl]prop-2-enoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.