Methyl 2-methoxyadamantane-1-carboxylate
TL;DR: Methyl 2-methoxyadamantane-1-carboxylate (CAS 103549-36-6) is a chemical compound with molecular formula C13H20O3 and molecular weight 224.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methoxyadamantane-1-carboxylate
Also Known As: methyl 2-methoxyadamantane-1-carboxylate, Methyl2-methoxy-1-adamantanecarboxylate, 2-Methoxytricyclo(3.3.1.13,7decane-1-carboxylic acid, methyl ester, 2-Methoxytricyclo[3.3.1.13,7decane-1-carboxylic acid, methyl ester, Tricyclo[3.3.1.13,7]decane-1-carboxylicacid, 2-methoxy-, methyl ester
| Molecular Formula | C13H20O3 |
|---|---|
| Molecular Weight | 224.14 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.14125 |
| Heavy Atoms | 16 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 103549-36-6 |
|---|---|
| SMILES | COC1C2CC3CC(C2)CC1(C3)C(=O)OC |
| InChIKey | GGHGRMSWVJKWNT-UHFFFAOYSA-N |
Product Overview
Methyl 2-methoxyadamantane-1-carboxylate (CAS 103549-36-6), with molecular formula C13H20O3 and molecular weight 224.14 g/mol. IUPAC: methyl 2-methoxyadamantane-1-carboxylate.
Chemical Property Profile of Methyl 2-methoxyadamantane-1-carboxylate
Property Insights of Methyl 2-methoxyadamantane-1-carboxylate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-methoxyadamantane-1-carboxylate. With a topological polar surface area (TPSA) of 35.5 Ų, Methyl 2-methoxyadamantane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-methoxyadamantane-1-carboxylate has 0 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-methoxyadamantane-1-carboxylate?
The CAS number of Methyl 2-methoxyadamantane-1-carboxylate is 103549-36-6.
What is the molecular formula of Methyl 2-methoxyadamantane-1-carboxylate?
The molecular formula of Methyl 2-methoxyadamantane-1-carboxylate is C13H20O3.
What is the molecular weight of Methyl 2-methoxyadamantane-1-carboxylate?
The molecular weight of Methyl 2-methoxyadamantane-1-carboxylate is 224.14 g/mol.
Where can I buy Methyl 2-methoxyadamantane-1-carboxylate?
You can request a quote for Methyl 2-methoxyadamantane-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-methoxyadamantane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-methoxyadamantane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.