3-(3,4-Dimethylphenyl)tricyclo(3.3.1.13,7)decane-1-carboxylic acid
TL;DR: 3-(3,4-Dimethylphenyl)tricyclo(3.3.1.13,7)decane-1-carboxylic acid (CAS 56531-57-8) is a chemical compound with molecular formula C19H24O2 and molecular weight 284.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethylphenyl)adamantane-1-carboxylic acid
Also Known As: 3-(3,4-dimethylphenyl)adamantane-1-carboxylic acid, 3-(3,4-Dimethyl-phenyl)-adamantane-1-carboxylic acid, 1-(3,4-Xylyl)-3-adamantanecarboxylic acid, 1-(3,4-xylyl)-3-adamantanecarboxylicaci, 3-ADAMANTANECARBOXYLIC ACID, 1-(3,4-XYLYL)-
| Molecular Formula | C19H24O2 |
|---|---|
| Molecular Weight | 284.18 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.17764 |
| Heavy Atoms | 21 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 56531-57-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)O)C |
| InChIKey | OSUAHUMJPBHFKV-UHFFFAOYSA-N |
Product Overview
3-(3,4-Dimethylphenyl)tricyclo(3.3.1.13,7)decane-1-carboxylic acid (CAS 56531-57-8), with molecular formula C19H24O2 and molecular weight 284.18 g/mol. IUPAC: 3-(3,4-dimethylphenyl)adamantane-1-carboxylic acid.
Chemical Property Profile of 3-(3,4-Dimethylphenyl)tricyclo(3.3.1.13,7)decane-1-carboxylic acid
Property Insights of 3-(3,4-Dimethylphenyl)tricyclo(3.3.1.13,7)decane-1-carboxylic acid
The XLogP value of 4.6 indicates that 3-(3,4-Dimethylphenyl)tricyclo(3.3.1.13,7)decane-1-carboxylic acid 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-(3,4-Dimethylphenyl)tricyclo(3.3.1.13,7)decane-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4-Dimethylphenyl)tricyclo(3.3.1.13,7)decane-1-carboxylic 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-(3,4-Dimethylphenyl)tricyclo(3.3.1.13,7)decane-1-carboxylic acid?
The CAS number of 3-(3,4-Dimethylphenyl)tricyclo(3.3.1.13,7)decane-1-carboxylic acid is 56531-57-8.
What is the molecular formula of 3-(3,4-Dimethylphenyl)tricyclo(3.3.1.13,7)decane-1-carboxylic acid?
The molecular formula of 3-(3,4-Dimethylphenyl)tricyclo(3.3.1.13,7)decane-1-carboxylic acid is C19H24O2.
What is the molecular weight of 3-(3,4-Dimethylphenyl)tricyclo(3.3.1.13,7)decane-1-carboxylic acid?
The molecular weight of 3-(3,4-Dimethylphenyl)tricyclo(3.3.1.13,7)decane-1-carboxylic acid is 284.18 g/mol.
Where can I buy 3-(3,4-Dimethylphenyl)tricyclo(3.3.1.13,7)decane-1-carboxylic acid?
You can request a quote for 3-(3,4-Dimethylphenyl)tricyclo(3.3.1.13,7)decane-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-Dimethylphenyl)tricyclo(3.3.1.13,7)decane-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dimethylphenyl)tricyclo(3.3.1.13,7)decane-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.