2,2-Dimethyl-tetrahydro-pyran-4-carboxylic acid methyl ester
TL;DR: 2,2-Dimethyl-tetrahydro-pyran-4-carboxylic acid methyl ester (CAS 52916-17-3) is a chemical compound with molecular formula C9H16O3 and molecular weight 172.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,2-dimethyloxane-4-carboxylate
Also Known As: methyl 2,2-dimethyloxane-4-carboxylate, 2,2-Dimethyl-tetrahydro-pyran-4-carboxylic acid methyl ester, methyl 2,2-dimethyltetrahydro-2H-pyran-4-carboxylate, 4210AJ, methyl 2,2-dimethyltetrahydropyran-4-carboxylate
| Molecular Formula | C9H16O3 |
|---|---|
| Molecular Weight | 172.11 g/mol |
| LogP | 1.3646 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.10994 |
| Heavy Atoms | 12 |
| Complexity | 174.61246 |
Chemical Identifiers
| CAS Number | 52916-17-3 |
|---|---|
| SMILES | CC1(CC(CCO1)C(=O)OC)C |
Product Overview
2,2-Dimethyl-tetrahydro-pyran-4-carboxylic acid methyl ester (CAS 52916-17-3), with molecular formula C9H16O3 and molecular weight 172.11 g/mol. IUPAC: methyl 2,2-dimethyloxane-4-carboxylate.
Chemical Property Profile of 2,2-Dimethyl-tetrahydro-pyran-4-carboxylic acid methyl ester
Property Insights of 2,2-Dimethyl-tetrahydro-pyran-4-carboxylic acid methyl ester
The XLogP value of 1.3646 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-tetrahydro-pyran-4-carboxylic acid methyl ester. With a topological polar surface area (TPSA) of 35.53 Ų, 2,2-Dimethyl-tetrahydro-pyran-4-carboxylic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-tetrahydro-pyran-4-carboxylic acid methyl ester 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 2,2-Dimethyl-tetrahydro-pyran-4-carboxylic acid methyl ester?
The CAS number of 2,2-Dimethyl-tetrahydro-pyran-4-carboxylic acid methyl ester is 52916-17-3.
What is the molecular formula of 2,2-Dimethyl-tetrahydro-pyran-4-carboxylic acid methyl ester?
The molecular formula of 2,2-Dimethyl-tetrahydro-pyran-4-carboxylic acid methyl ester is C9H16O3.
What is the molecular weight of 2,2-Dimethyl-tetrahydro-pyran-4-carboxylic acid methyl ester?
The molecular weight of 2,2-Dimethyl-tetrahydro-pyran-4-carboxylic acid methyl ester is 172.11 g/mol.
Where can I buy 2,2-Dimethyl-tetrahydro-pyran-4-carboxylic acid methyl ester?
You can request a quote for 2,2-Dimethyl-tetrahydro-pyran-4-carboxylic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethyl-tetrahydro-pyran-4-carboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-tetrahydro-pyran-4-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.