4-氯苯基乙醛酸
TL;DR: 4-氯苯基乙醛酸 (CAS 66399-30-2) is a chemical compound with molecular formula C8H5ClO3 and molecular weight 183.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯苯基乙醛酸
2-(4-chlorophenyl)-2-oxoacetic acid
Also Known As: 2-(4-chlorophenyl)-2-oxoacetic acid, 4-Chlorobenzoylformic acid, Iron lactate, 4-Chlorophenylglyoxylic acid, (p-Chlorophenyl)glyoxylic acid
| Molecular Formula | C8H5ClO3 |
|---|---|
| Molecular Weight | 183.99 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.99272 |
| Heavy Atoms | 12 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 66399-30-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)C(=O)O)Cl |
| InChIKey | RSAXVDMWQCQTDT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氯苯基乙醛酸 (CAS 66399-30-2), with molecular formula C8H5ClO3 and molecular weight 183.99 g/mol. IUPAC: 2-(4-chlorophenyl)-2-oxoacetic acid.
Chemical Property Profile of 4-氯苯基乙醛酸
Property Insights of 4-氯苯基乙醛酸
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氯苯基乙醛酸. With a topological polar surface area (TPSA) of 54.4 Ų, 4-氯苯基乙醛酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氯苯基乙醛酸 has 1 hydrogen bond donor(s) and 3 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 4-氯苯基乙醛酸?
The CAS number of 4-氯苯基乙醛酸 is 66399-30-2.
What is the molecular formula of 4-氯苯基乙醛酸?
The molecular formula of 4-氯苯基乙醛酸 is C8H5ClO3.
What is the molecular weight of 4-氯苯基乙醛酸?
The molecular weight of 4-氯苯基乙醛酸 is 183.99 g/mol.
Where can I buy 4-氯苯基乙醛酸?
You can request a quote for 4-氯苯基乙醛酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氯苯基乙醛酸?
Yes, KEHONG BIO provides custom synthesis services for 4-氯苯基乙醛酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.