methyl 1H-indene-1-carboxylate
TL;DR: methyl 1H-indene-1-carboxylate (CAS 133283-73-5) 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 1H-indene-1-carboxylate
Also Known As: methyl indenoate, methyl 1H-indene-1-carboxylate, 1H-Indene-1-carboxylic acid methyl ester, J3.530.903I
| Molecular Formula | C11H10O2 |
|---|---|
| Molecular Weight | 174.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.06808 |
| Heavy Atoms | 13 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 133283-73-5 |
|---|---|
| SMILES | COC(=O)C1C=CC2=CC=CC=C12 |
| InChIKey | GRLJRQBQIZPKEO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
methyl 1H-indene-1-carboxylate (CAS 133283-73-5), with molecular formula C11H10O2 and molecular weight 174.07 g/mol. IUPAC: methyl 1H-indene-1-carboxylate.
Chemical Property Profile of methyl 1H-indene-1-carboxylate
Property Insights of methyl 1H-indene-1-carboxylate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1H-indene-1-carboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, methyl 1H-indene-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 1H-indene-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 1H-indene-1-carboxylate?
The CAS number of methyl 1H-indene-1-carboxylate is 133283-73-5.
What is the molecular formula of methyl 1H-indene-1-carboxylate?
The molecular formula of methyl 1H-indene-1-carboxylate is C11H10O2.
What is the molecular weight of methyl 1H-indene-1-carboxylate?
The molecular weight of methyl 1H-indene-1-carboxylate is 174.07 g/mol.
Where can I buy methyl 1H-indene-1-carboxylate?
You can request a quote for methyl 1H-indene-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 1H-indene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1H-indene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.