2-(4-Chlorophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid
TL;DR: 2-(4-Chlorophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid (CAS 385381-18-0) is a chemical compound with molecular formula C12H13ClO4 and molecular weight 256.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid
Also Known As: 2-(4-chlorophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid, BAS 04850598, 1,3-dioxane-5-carboxylic acid, 2-(4-chlorophenyl)-5-methyl-, 2-(4-chlorophenyl)-5-methyl-1,3-dioxane-5-carboxylicacid, 2-(4-Chloro-phenyl)-5-methyl-[1,3]dioxane-5-carboxylic acid
| Molecular Formula | C12H13ClO4 |
|---|---|
| Molecular Weight | 256.05 g/mol |
| LogP | 2.4763 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.05023 |
| Heavy Atoms | 17 |
| Complexity | 407.01874 |
Chemical Identifiers
| CAS Number | 385381-18-0 |
|---|---|
| SMILES | CC1(COC(OC1)C2=CC=C(C=C2)Cl)C(=O)O |
Product Overview
2-(4-Chlorophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid (CAS 385381-18-0), with molecular formula C12H13ClO4 and molecular weight 256.05 g/mol. IUPAC: 2-(4-chlorophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid.
Chemical Property Profile of 2-(4-Chlorophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid
Property Insights of 2-(4-Chlorophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid
The XLogP value of 2.4763 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Chlorophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid. With a topological polar surface area (TPSA) of 55.76 Ų, 2-(4-Chlorophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid 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 2-(4-Chlorophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid?
The CAS number of 2-(4-Chlorophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid is 385381-18-0.
What is the molecular formula of 2-(4-Chlorophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid?
The molecular formula of 2-(4-Chlorophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid is C12H13ClO4.
What is the molecular weight of 2-(4-Chlorophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid?
The molecular weight of 2-(4-Chlorophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid is 256.05 g/mol.
Where can I buy 2-(4-Chlorophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid?
You can request a quote for 2-(4-Chlorophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.