Benzenepropanoic acid, 3-chloro-4-cyclohexyl-beta-hydroxy-beta-methyl-
TL;DR: Benzenepropanoic acid, 3-chloro-4-cyclohexyl-beta-hydroxy-beta-methyl- (CAS 24645-14-5) is a chemical compound with molecular formula C16H21ClO3 and molecular weight 296.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chloro-4-cyclohexylphenyl)-3-hydroxybutanoic acid
Also Known As: 3-(3-chloro-4-cyclohexylphenyl)-3-hydroxybutanoic acid, Benzenepropanoic acid, 3-chloro-4-cyclohexyl-beta-hydroxy-beta-methyl-, Hydrocinnamic acid, 3-chloro-4-cyclohexyl-beta-hydroxy-beta-methyl-, RefChem:1078602, BRN 2134558
| Molecular Formula | C16H21ClO3 |
|---|---|
| Molecular Weight | 296.12 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.11792 |
| Heavy Atoms | 20 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 24645-14-5 |
|---|---|
| SMILES | CC(CC(=O)O)(C1=CC(=C(C=C1)C2CCCCC2)Cl)O |
| InChIKey | AINTUTMSFVISLY-UHFFFAOYSA-N |
Product Overview
Benzenepropanoic acid, 3-chloro-4-cyclohexyl-beta-hydroxy-beta-methyl- (CAS 24645-14-5), with molecular formula C16H21ClO3 and molecular weight 296.12 g/mol. IUPAC: 3-(3-chloro-4-cyclohexylphenyl)-3-hydroxybutanoic acid.
Chemical Property Profile of Benzenepropanoic acid, 3-chloro-4-cyclohexyl-beta-hydroxy-beta-methyl-
Property Insights of Benzenepropanoic acid, 3-chloro-4-cyclohexyl-beta-hydroxy-beta-methyl-
The XLogP value of 3.9 indicates that Benzenepropanoic acid, 3-chloro-4-cyclohexyl-beta-hydroxy-beta-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, Benzenepropanoic acid, 3-chloro-4-cyclohexyl-beta-hydroxy-beta-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenepropanoic acid, 3-chloro-4-cyclohexyl-beta-hydroxy-beta-methyl- has 2 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 Benzenepropanoic acid, 3-chloro-4-cyclohexyl-beta-hydroxy-beta-methyl-?
The CAS number of Benzenepropanoic acid, 3-chloro-4-cyclohexyl-beta-hydroxy-beta-methyl- is 24645-14-5.
What is the molecular formula of Benzenepropanoic acid, 3-chloro-4-cyclohexyl-beta-hydroxy-beta-methyl-?
The molecular formula of Benzenepropanoic acid, 3-chloro-4-cyclohexyl-beta-hydroxy-beta-methyl- is C16H21ClO3.
What is the molecular weight of Benzenepropanoic acid, 3-chloro-4-cyclohexyl-beta-hydroxy-beta-methyl-?
The molecular weight of Benzenepropanoic acid, 3-chloro-4-cyclohexyl-beta-hydroxy-beta-methyl- is 296.12 g/mol.
Where can I buy Benzenepropanoic acid, 3-chloro-4-cyclohexyl-beta-hydroxy-beta-methyl-?
You can request a quote for Benzenepropanoic acid, 3-chloro-4-cyclohexyl-beta-hydroxy-beta-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenepropanoic acid, 3-chloro-4-cyclohexyl-beta-hydroxy-beta-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanoic acid, 3-chloro-4-cyclohexyl-beta-hydroxy-beta-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.