Methyl 3-Methylcyclopentene-3-carboxylate
TL;DR: Methyl 3-Methylcyclopentene-3-carboxylate (CAS 68317-73-7) is a chemical compound with molecular formula C8H12O2 and molecular weight 140.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-methylcyclopent-2-ene-1-carboxylate
Also Known As: ghl.PD_Mitscher_leg0.33, Methyl 3-Methylcyclopentene-3-carboxylate, methyl 1-methylcyclopent-2-ene-1-carboxylate, Methyl 1-methyl-2-cyclopentene-1-carboxylate, Methyl 1-methyl-2-cyclopentene-1-carboxylate #
| Molecular Formula | C8H12O2 |
|---|---|
| Molecular Weight | 140.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 140.08372 |
| Heavy Atoms | 10 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 68317-73-7 |
|---|---|
| SMILES | CC1(CCC=C1)C(=O)OC |
| InChIKey | QLYLZTLICYNASF-UHFFFAOYSA-N |
Product Overview
Methyl 3-Methylcyclopentene-3-carboxylate (CAS 68317-73-7), with molecular formula C8H12O2 and molecular weight 140.08 g/mol. IUPAC: methyl 1-methylcyclopent-2-ene-1-carboxylate.
Chemical Property Profile of Methyl 3-Methylcyclopentene-3-carboxylate
Property Insights of Methyl 3-Methylcyclopentene-3-carboxylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-Methylcyclopentene-3-carboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3-Methylcyclopentene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-Methylcyclopentene-3-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 3-Methylcyclopentene-3-carboxylate?
The CAS number of Methyl 3-Methylcyclopentene-3-carboxylate is 68317-73-7.
What is the molecular formula of Methyl 3-Methylcyclopentene-3-carboxylate?
The molecular formula of Methyl 3-Methylcyclopentene-3-carboxylate is C8H12O2.
What is the molecular weight of Methyl 3-Methylcyclopentene-3-carboxylate?
The molecular weight of Methyl 3-Methylcyclopentene-3-carboxylate is 140.08 g/mol.
Where can I buy Methyl 3-Methylcyclopentene-3-carboxylate?
You can request a quote for Methyl 3-Methylcyclopentene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-Methylcyclopentene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-Methylcyclopentene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.