rac-(3R,5S)-4-hydroxyadamantane-1-carboxylic acid
TL;DR: rac-(3R,5S)-4-hydroxyadamantane-1-carboxylic acid (CAS 81968-77-6) is a chemical compound with molecular formula C11H16O3 and molecular weight 196.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,5S)-4-hydroxyadamantane-1-carboxylic acid
Also Known As: 4-hydroxyadamantane-1-carboxylic Acid, 4beta-Hydroxyadamantane-1-carboxylic acid, 4alpha-Hydroxyadamantane-1-carboxylic acid, (3R,5S)-4-hydroxyadamantane-1-carboxylic acid, (3R,4r,5S)-4-hydroxyadamantane-1-carboxylic acid
| Molecular Formula | C11H16O3 |
|---|---|
| Molecular Weight | 196.11 g/mol |
| LogP | 1.2582 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.10994 |
| Heavy Atoms | 14 |
| Complexity | 270.25723 |
Chemical Identifiers
| CAS Number | 81968-77-6 |
|---|---|
| SMILES | C1[C@@H]2CC3(C[C@@H](C2O)CC1C3)C(=O)O |
Product Overview
rac-(3R,5S)-4-hydroxyadamantane-1-carboxylic acid (CAS 81968-77-6), with molecular formula C11H16O3 and molecular weight 196.11 g/mol. IUPAC: (3R,5S)-4-hydroxyadamantane-1-carboxylic acid.
Chemical Property Profile of rac-(3R,5S)-4-hydroxyadamantane-1-carboxylic acid
Property Insights of rac-(3R,5S)-4-hydroxyadamantane-1-carboxylic acid
The XLogP value of 1.2582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for rac-(3R,5S)-4-hydroxyadamantane-1-carboxylic acid. With a topological polar surface area (TPSA) of 57.53 Ų, rac-(3R,5S)-4-hydroxyadamantane-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, rac-(3R,5S)-4-hydroxyadamantane-1-carboxylic acid has 2 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 rac-(3R,5S)-4-hydroxyadamantane-1-carboxylic acid?
The CAS number of rac-(3R,5S)-4-hydroxyadamantane-1-carboxylic acid is 81968-77-6.
What is the molecular formula of rac-(3R,5S)-4-hydroxyadamantane-1-carboxylic acid?
The molecular formula of rac-(3R,5S)-4-hydroxyadamantane-1-carboxylic acid is C11H16O3.
What is the molecular weight of rac-(3R,5S)-4-hydroxyadamantane-1-carboxylic acid?
The molecular weight of rac-(3R,5S)-4-hydroxyadamantane-1-carboxylic acid is 196.11 g/mol.
Where can I buy rac-(3R,5S)-4-hydroxyadamantane-1-carboxylic acid?
You can request a quote for rac-(3R,5S)-4-hydroxyadamantane-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 rac-(3R,5S)-4-hydroxyadamantane-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for rac-(3R,5S)-4-hydroxyadamantane-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.