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Methyl spiro[2.2]pentane-1-carboxylate
TL;DR: Methyl spiro[2.2]pentane-1-carboxylate (CAS 33447-49-3) is a chemical compound with molecular formula C7H10O2 and molecular weight 126.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl spiro[2.2]pentane-2-carboxylate
Also Known As: Methyl spiro[2.2]pentane-1-carboxylate, Spiropentanoic acid, methyl ester, spiropentylcarboxylic acid methyl ester, methyl spiro[2.2]pentane-5-carboxylate, Methyl spiro[2.2]pentane-1-carboxylate #
| Molecular Formula | C7H10O2 |
|---|---|
| Molecular Weight | 126.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 126.06808 |
| Heavy Atoms | 9 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 33447-49-3 |
|---|---|
| SMILES | COC(=O)C1CC12CC2 |
| InChIKey | ICLNWIYCFZWTPE-UHFFFAOYSA-N |
Product Overview
Methyl spiro[2.2]pentane-1-carboxylate (CAS 33447-49-3), with molecular formula C7H10O2 and molecular weight 126.07 g/mol. IUPAC: methyl spiro[2.2]pentane-2-carboxylate.
Chemical Property Profile of Methyl spiro[2.2]pentane-1-carboxylate
Property Insights of Methyl spiro[2.2]pentane-1-carboxylate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl spiro[2.2]pentane-1-carboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl spiro[2.2]pentane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl spiro[2.2]pentane-1-carboxylate has 0 hydrogen bond donor(s) and 2 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 spiro[2.2]pentane-1-carboxylate?
The CAS number of Methyl spiro[2.2]pentane-1-carboxylate is 33447-49-3.
What is the molecular formula of Methyl spiro[2.2]pentane-1-carboxylate?
The molecular formula of Methyl spiro[2.2]pentane-1-carboxylate is C7H10O2.
What is the molecular weight of Methyl spiro[2.2]pentane-1-carboxylate?
The molecular weight of Methyl spiro[2.2]pentane-1-carboxylate is 126.07 g/mol.
Where can I buy Methyl spiro[2.2]pentane-1-carboxylate?
You can request a quote for Methyl spiro[2.2]pentane-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 spiro[2.2]pentane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl spiro[2.2]pentane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.