3-氯-4-环己基苯乙酸
TL;DR: 3-氯-4-环己基苯乙酸 (CAS 38226-60-7) is a chemical compound with molecular formula C14H17ClO2 and molecular weight 252.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氯-4-环己基苯乙酸
2-(3-chloro-4-cyclohexylphenyl)acetic acid
Also Known As: (3-Chloro-4-cyclohexylphenyl)acetic acid, Benzeneacetic acid, 3-chloro-4-cyclohexyl-, Acetic acid, (3-chloro-4-cyclohexylphenyl)-, 2-(3-chloro-4-cyclohexylphenyl)acetic acid, 3-Chlor-4-cyclohexyl-phenylessigsaeure
| Molecular Formula | C14H17ClO2 |
|---|---|
| Molecular Weight | 252.09 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.0917 |
| Heavy Atoms | 17 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 38226-60-7 |
|---|---|
| SMILES | C1CCC(CC1)C2=C(C=C(C=C2)CC(=O)O)Cl |
| InChIKey | NOSBFRZPIIBRLZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氯-4-环己基苯乙酸 (CAS 38226-60-7), with molecular formula C14H17ClO2 and molecular weight 252.09 g/mol. IUPAC: 2-(3-chloro-4-cyclohexylphenyl)acetic acid.
Chemical Property Profile of 3-氯-4-环己基苯乙酸
Property Insights of 3-氯-4-环己基苯乙酸
The XLogP value of 4.5 indicates that 3-氯-4-环己基苯乙酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-氯-4-环己基苯乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-氯-4-环己基苯乙酸 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 3-氯-4-环己基苯乙酸?
The CAS number of 3-氯-4-环己基苯乙酸 is 38226-60-7.
What is the molecular formula of 3-氯-4-环己基苯乙酸?
The molecular formula of 3-氯-4-环己基苯乙酸 is C14H17ClO2.
What is the molecular weight of 3-氯-4-环己基苯乙酸?
The molecular weight of 3-氯-4-环己基苯乙酸 is 252.09 g/mol.
Where can I buy 3-氯-4-环己基苯乙酸?
You can request a quote for 3-氯-4-环己基苯乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氯-4-环己基苯乙酸?
Yes, KEHONG BIO provides custom synthesis services for 3-氯-4-环己基苯乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.