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Methyl 3-(1,4-dioxaspiro[4.5]dec-6-yl)propanoate
TL;DR: Methyl 3-(1,4-dioxaspiro[4.5]dec-6-yl)propanoate (CAS 62885-64-7) is a chemical compound with molecular formula C12H20O4 and molecular weight 228.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(1,4-dioxaspiro[4.5]decan-6-yl)propanoate
Also Known As: ChemDiv2_000264, methyl 3-(1,4-dioxaspiro[4.5]dec-6-yl)propanoate, methyl 3-(1,4-dioxaspiro[4.5]decan-6-yl)propanoate, AB01316285-02, 3-(1,4-dioxaspiro[4.5]dec-6-yl)propionic acid methyl ester
| Molecular Formula | C12H20O4 |
|---|---|
| Molecular Weight | 228.14 g/mol |
| LogP | 1.8729 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.13615 |
| Heavy Atoms | 16 |
| Complexity | 245.40332 |
Chemical Identifiers
| CAS Number | 62885-64-7 |
|---|---|
| SMILES | COC(=O)CCC1CCCCC12OCCO2 |
Product Overview
Methyl 3-(1,4-dioxaspiro[4.5]dec-6-yl)propanoate (CAS 62885-64-7), with molecular formula C12H20O4 and molecular weight 228.14 g/mol. IUPAC: methyl 3-(1,4-dioxaspiro[4.5]decan-6-yl)propanoate.
Chemical Property Profile of Methyl 3-(1,4-dioxaspiro[4.5]dec-6-yl)propanoate
Property Insights of Methyl 3-(1,4-dioxaspiro[4.5]dec-6-yl)propanoate
The XLogP value of 1.8729 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(1,4-dioxaspiro[4.5]dec-6-yl)propanoate. With a topological polar surface area (TPSA) of 44.76 Ų, Methyl 3-(1,4-dioxaspiro[4.5]dec-6-yl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(1,4-dioxaspiro[4.5]dec-6-yl)propanoate 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 3-(1,4-dioxaspiro[4.5]dec-6-yl)propanoate?
The CAS number of Methyl 3-(1,4-dioxaspiro[4.5]dec-6-yl)propanoate is 62885-64-7.
What is the molecular formula of Methyl 3-(1,4-dioxaspiro[4.5]dec-6-yl)propanoate?
The molecular formula of Methyl 3-(1,4-dioxaspiro[4.5]dec-6-yl)propanoate is C12H20O4.
What is the molecular weight of Methyl 3-(1,4-dioxaspiro[4.5]dec-6-yl)propanoate?
The molecular weight of Methyl 3-(1,4-dioxaspiro[4.5]dec-6-yl)propanoate is 228.14 g/mol.
Where can I buy Methyl 3-(1,4-dioxaspiro[4.5]dec-6-yl)propanoate?
You can request a quote for Methyl 3-(1,4-dioxaspiro[4.5]dec-6-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(1,4-dioxaspiro[4.5]dec-6-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(1,4-dioxaspiro[4.5]dec-6-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.