methyl 1H-indene-3-carboxylate
TL;DR: methyl 1H-indene-3-carboxylate (CAS 39891-79-7) is a chemical compound with molecular formula C11H10O2 and molecular weight 174.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3H-indene-1-carboxylate
Also Known As: Methyl 1H-indene-3-carboxylate, methyl 3H-indene-1-carboxylate, methyl indene-3-carboxylate, 3-(Methoxycarbonyl)-1H-indene, 1H-Indene-3-carboxylic acid, methyl ester
| Molecular Formula | C11H10O2 |
|---|---|
| Molecular Weight | 174.07 g/mol |
| LogP | 1.7991 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.06808 |
| Heavy Atoms | 13 |
| Complexity | 377.4316 |
Chemical Identifiers
| CAS Number | 39891-79-7 |
|---|---|
| SMILES | COC(=O)C1=CCC2=CC=CC=C21 |
Product Overview
methyl 1H-indene-3-carboxylate (CAS 39891-79-7), with molecular formula C11H10O2 and molecular weight 174.07 g/mol. IUPAC: methyl 3H-indene-1-carboxylate.
Chemical Property Profile of methyl 1H-indene-3-carboxylate
Property Insights of methyl 1H-indene-3-carboxylate
The XLogP value of 1.7991 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1H-indene-3-carboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, methyl 1H-indene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 1H-indene-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 1H-indene-3-carboxylate?
The CAS number of methyl 1H-indene-3-carboxylate is 39891-79-7.
What is the molecular formula of methyl 1H-indene-3-carboxylate?
The molecular formula of methyl 1H-indene-3-carboxylate is C11H10O2.
What is the molecular weight of methyl 1H-indene-3-carboxylate?
The molecular weight of methyl 1H-indene-3-carboxylate is 174.07 g/mol.
Where can I buy methyl 1H-indene-3-carboxylate?
You can request a quote for methyl 1H-indene-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 1H-indene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1H-indene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.