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Methyl 1,4-dioxaspiro[4.5]decane-7-carboxylate
TL;DR: Methyl 1,4-dioxaspiro[4.5]decane-7-carboxylate (CAS 13149-16-1) is a chemical compound with molecular formula C10H16O4 and molecular weight 200.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1,4-dioxaspiro[4.5]decane-7-carboxylate
Also Known As: Methyl 1,4-dioxaspiro[4.5]decane-7-carboxylate, NCI60_016431, methyl 1,4-dioxaspiro[4.5]decane-9-carboxylate, methyl 1,4-di oxaspiro[4.5]decane-7-carboxylate, 1,4-Dioxaspiro[4.5]decane-7-carboxylic acid, methyl ester
| Molecular Formula | C10H16O4 |
|---|---|
| Molecular Weight | 200.10 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.10486 |
| Heavy Atoms | 14 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 13149-16-1 |
|---|---|
| SMILES | COC(=O)C1CCCC2(C1)OCCO2 |
| InChIKey | DYHGYAOSFBZYRW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 1,4-dioxaspiro[4.5]decane-7-carboxylate (CAS 13149-16-1), with molecular formula C10H16O4 and molecular weight 200.10 g/mol. IUPAC: methyl 1,4-dioxaspiro[4.5]decane-7-carboxylate.
Chemical Property Profile of Methyl 1,4-dioxaspiro[4.5]decane-7-carboxylate
Property Insights of Methyl 1,4-dioxaspiro[4.5]decane-7-carboxylate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1,4-dioxaspiro[4.5]decane-7-carboxylate. With a topological polar surface area (TPSA) of 44.8 Ų, Methyl 1,4-dioxaspiro[4.5]decane-7-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1,4-dioxaspiro[4.5]decane-7-carboxylate has 0 hydrogen bond donor(s) and 4 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 1,4-dioxaspiro[4.5]decane-7-carboxylate?
The CAS number of Methyl 1,4-dioxaspiro[4.5]decane-7-carboxylate is 13149-16-1.
What is the molecular formula of Methyl 1,4-dioxaspiro[4.5]decane-7-carboxylate?
The molecular formula of Methyl 1,4-dioxaspiro[4.5]decane-7-carboxylate is C10H16O4.
What is the molecular weight of Methyl 1,4-dioxaspiro[4.5]decane-7-carboxylate?
The molecular weight of Methyl 1,4-dioxaspiro[4.5]decane-7-carboxylate is 200.10 g/mol.
Where can I buy Methyl 1,4-dioxaspiro[4.5]decane-7-carboxylate?
You can request a quote for Methyl 1,4-dioxaspiro[4.5]decane-7-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1,4-dioxaspiro[4.5]decane-7-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1,4-dioxaspiro[4.5]decane-7-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.