Methyl cycloheptatriene-7-carboxylate
TL;DR: Methyl cycloheptatriene-7-carboxylate (CAS 32399-46-5) is a chemical compound with molecular formula C9H10O2 and molecular weight 150.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl cyclohepta-2,4,6-triene-1-carboxylate
Also Known As: Methyl cycloheptatriene-7-carboxylate, methyl cyclohepta-2,4,6-triene-1-carboxylate, Methyl 2,4,6-cycloheptatriene-1-carboxylate, methylcyclohepta-2,4,6-triene-1-carboxylate, J1.207.543J
| Molecular Formula | C9H10O2 |
|---|---|
| Molecular Weight | 150.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 150.06808 |
| Heavy Atoms | 11 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 32399-46-5 |
|---|---|
| SMILES | COC(=O)C1C=CC=CC=C1 |
| InChIKey | KBZSIBZTASZFGF-UHFFFAOYSA-N |
Product Overview
Methyl cycloheptatriene-7-carboxylate (CAS 32399-46-5), with molecular formula C9H10O2 and molecular weight 150.07 g/mol. IUPAC: methyl cyclohepta-2,4,6-triene-1-carboxylate.
Chemical Property Profile of Methyl cycloheptatriene-7-carboxylate
Property Insights of Methyl cycloheptatriene-7-carboxylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl cycloheptatriene-7-carboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl cycloheptatriene-7-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl cycloheptatriene-7-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 cycloheptatriene-7-carboxylate?
The CAS number of Methyl cycloheptatriene-7-carboxylate is 32399-46-5.
What is the molecular formula of Methyl cycloheptatriene-7-carboxylate?
The molecular formula of Methyl cycloheptatriene-7-carboxylate is C9H10O2.
What is the molecular weight of Methyl cycloheptatriene-7-carboxylate?
The molecular weight of Methyl cycloheptatriene-7-carboxylate is 150.07 g/mol.
Where can I buy Methyl cycloheptatriene-7-carboxylate?
You can request a quote for Methyl cycloheptatriene-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 cycloheptatriene-7-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl cycloheptatriene-7-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.