3-Bromo-5-methyladamantane-1-carboxylic acid
TL;DR: 3-Bromo-5-methyladamantane-1-carboxylic acid (CAS 14711-91-2) is a chemical compound with molecular formula C12H17BrO2 and molecular weight 272.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-5-methyladamantane-1-carboxylic acid
Also Known As: 3-bromo-5-methyladamantane-1-carboxylic acid, 5-Chloro-2-thiophenecarbonitrile, 3-Bromo-5-methyl-1-adamantanecarboxylic acid, 3-bromo-5-methyladamantanecarboxylic acid, 3-Bromo-7-methyl-1-adamantanecarboxylic acid
| Molecular Formula | C12H17BrO2 |
|---|---|
| Molecular Weight | 272.04 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.0412 |
| Heavy Atoms | 15 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 14711-91-2 |
|---|---|
| SMILES | CC12CC3CC(C1)(CC(C3)(C2)Br)C(=O)O |
| InChIKey | AQYMJKFAOHCXOD-UHFFFAOYSA-N |
Product Overview
3-Bromo-5-methyladamantane-1-carboxylic acid (CAS 14711-91-2), with molecular formula C12H17BrO2 and molecular weight 272.04 g/mol. IUPAC: 3-bromo-5-methyladamantane-1-carboxylic acid.
Chemical Property Profile of 3-Bromo-5-methyladamantane-1-carboxylic acid
Property Insights of 3-Bromo-5-methyladamantane-1-carboxylic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-5-methyladamantane-1-carboxylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Bromo-5-methyladamantane-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-5-methyladamantane-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-Bromo-5-methyladamantane-1-carboxylic acid?
The CAS number of 3-Bromo-5-methyladamantane-1-carboxylic acid is 14711-91-2.
What is the molecular formula of 3-Bromo-5-methyladamantane-1-carboxylic acid?
The molecular formula of 3-Bromo-5-methyladamantane-1-carboxylic acid is C12H17BrO2.
What is the molecular weight of 3-Bromo-5-methyladamantane-1-carboxylic acid?
The molecular weight of 3-Bromo-5-methyladamantane-1-carboxylic acid is 272.04 g/mol.
Where can I buy 3-Bromo-5-methyladamantane-1-carboxylic acid?
You can request a quote for 3-Bromo-5-methyladamantane-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-Bromo-5-methyladamantane-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-5-methyladamantane-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.