methyl (3R,5S)-4-hydroxyadamantane-1-carboxylate
TL;DR: methyl (3R,5S)-4-hydroxyadamantane-1-carboxylate (CAS 81968-76-5) is a chemical compound with molecular formula C12H18O3 and molecular weight 210.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (3R,5S)-4-hydroxyadamantane-1-carboxylate
Also Known As: Methyl 4-hydroxyadamantan-1-carboxylate, J1.552.985G, J1.552.989J, methyl (3S,5R)-4-hydroxyadamantane-1-carboxylate, 4beta-Hydroxy-1-adamantanecarboxylic acid methyl ester
| Molecular Formula | C12H18O3 |
|---|---|
| Molecular Weight | 210.13 g/mol |
| LogP | 1.3466 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.1256 |
| Heavy Atoms | 15 |
| Complexity | 283.24237 |
Chemical Identifiers
| CAS Number | 81968-76-5 |
|---|---|
| SMILES | COC(=O)C12C[C@H]3CC(C1)C[C@@H](C2)C3O |
Product Overview
methyl (3R,5S)-4-hydroxyadamantane-1-carboxylate (CAS 81968-76-5), with molecular formula C12H18O3 and molecular weight 210.13 g/mol. IUPAC: methyl (3R,5S)-4-hydroxyadamantane-1-carboxylate.
Chemical Property Profile of methyl (3R,5S)-4-hydroxyadamantane-1-carboxylate
Property Insights of methyl (3R,5S)-4-hydroxyadamantane-1-carboxylate
The XLogP value of 1.3466 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (3R,5S)-4-hydroxyadamantane-1-carboxylate. With a topological polar surface area (TPSA) of 46.53 Ų, methyl (3R,5S)-4-hydroxyadamantane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (3R,5S)-4-hydroxyadamantane-1-carboxylate 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 methyl (3R,5S)-4-hydroxyadamantane-1-carboxylate?
The CAS number of methyl (3R,5S)-4-hydroxyadamantane-1-carboxylate is 81968-76-5.
What is the molecular formula of methyl (3R,5S)-4-hydroxyadamantane-1-carboxylate?
The molecular formula of methyl (3R,5S)-4-hydroxyadamantane-1-carboxylate is C12H18O3.
What is the molecular weight of methyl (3R,5S)-4-hydroxyadamantane-1-carboxylate?
The molecular weight of methyl (3R,5S)-4-hydroxyadamantane-1-carboxylate is 210.13 g/mol.
Where can I buy methyl (3R,5S)-4-hydroxyadamantane-1-carboxylate?
You can request a quote for methyl (3R,5S)-4-hydroxyadamantane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (3R,5S)-4-hydroxyadamantane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl (3R,5S)-4-hydroxyadamantane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.