Methyl 2-hydroxyadamantane-1-carboxylate
TL;DR: Methyl 2-hydroxyadamantane-1-carboxylate (CAS 41171-74-8) 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 2-hydroxyadamantane-1-carboxylate
Also Known As: methyl 2-hydroxyadamantane-1-carboxylate, Methyl 2-hydroxy-1-adamantanecarboxylate, Methyl 2-hydroxy-1-adamantanecarboxylate #, Tricyclo(3.3.1.13,7)decane-2-ol-1-carboxylic acid, methyl ester, Tricyclo[3.3.1.1(3,7)]decane-2-ol-1-carboxylic acid, methyl ester
| Molecular Formula | C12H18O3 |
|---|---|
| Molecular Weight | 210.13 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.1256 |
| Heavy Atoms | 15 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 41171-74-8 |
|---|---|
| SMILES | COC(=O)C12CC3CC(C1)CC(C3)C2O |
| InChIKey | SEVMKXVZUKPSMQ-UHFFFAOYSA-N |
Product Overview
Methyl 2-hydroxyadamantane-1-carboxylate (CAS 41171-74-8), with molecular formula C12H18O3 and molecular weight 210.13 g/mol. IUPAC: methyl 2-hydroxyadamantane-1-carboxylate.
Chemical Property Profile of Methyl 2-hydroxyadamantane-1-carboxylate
Property Insights of Methyl 2-hydroxyadamantane-1-carboxylate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-hydroxyadamantane-1-carboxylate. With a topological polar surface area (TPSA) of 46.5 Ų, Methyl 2-hydroxyadamantane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-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 2-hydroxyadamantane-1-carboxylate?
The CAS number of Methyl 2-hydroxyadamantane-1-carboxylate is 41171-74-8.
What is the molecular formula of Methyl 2-hydroxyadamantane-1-carboxylate?
The molecular formula of Methyl 2-hydroxyadamantane-1-carboxylate is C12H18O3.
What is the molecular weight of Methyl 2-hydroxyadamantane-1-carboxylate?
The molecular weight of Methyl 2-hydroxyadamantane-1-carboxylate is 210.13 g/mol.
Where can I buy Methyl 2-hydroxyadamantane-1-carboxylate?
You can request a quote for Methyl 2-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 2-hydroxyadamantane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-hydroxyadamantane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.