methyl 4,7-dimethyl-2,3-dihydro-1H-indene-2-carboxylate
TL;DR: methyl 4,7-dimethyl-2,3-dihydro-1H-indene-2-carboxylate (CAS 177166-11-9) is a chemical compound with molecular formula C13H16O2 and molecular weight 204.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,7-dimethyl-2,3-dihydro-1H-indene-2-carboxylate
Also Known As: methyl 4,7-dimethylindane-2-carboxylate, methyl 4,7-dimethyl-2,3-dihydro-1H-indene-2-carboxylate, 1H-indene-2-carboxylic acid, 2,3-dihydro-4,7-dimethyl-, methyl ester, InChI=1/C13H16O2/c1-8-4-5-9(2)12-7-10(6-11(8)12)13(14)15-3/h4-5,10H,6-7H2,1-3H
| Molecular Formula | C13H16O2 |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.11504 |
| Heavy Atoms | 15 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 177166-11-9 |
|---|---|
| SMILES | CC1=C2CC(CC2=C(C=C1)C)C(=O)OC |
| InChIKey | ROSDXIJEBYZGQV-UHFFFAOYSA-N |
Product Overview
methyl 4,7-dimethyl-2,3-dihydro-1H-indene-2-carboxylate (CAS 177166-11-9), with molecular formula C13H16O2 and molecular weight 204.12 g/mol. IUPAC: methyl 4,7-dimethyl-2,3-dihydro-1H-indene-2-carboxylate.
Chemical Property Profile of methyl 4,7-dimethyl-2,3-dihydro-1H-indene-2-carboxylate
Property Insights of methyl 4,7-dimethyl-2,3-dihydro-1H-indene-2-carboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4,7-dimethyl-2,3-dihydro-1H-indene-2-carboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, methyl 4,7-dimethyl-2,3-dihydro-1H-indene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4,7-dimethyl-2,3-dihydro-1H-indene-2-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 4,7-dimethyl-2,3-dihydro-1H-indene-2-carboxylate?
The CAS number of methyl 4,7-dimethyl-2,3-dihydro-1H-indene-2-carboxylate is 177166-11-9.
What is the molecular formula of methyl 4,7-dimethyl-2,3-dihydro-1H-indene-2-carboxylate?
The molecular formula of methyl 4,7-dimethyl-2,3-dihydro-1H-indene-2-carboxylate is C13H16O2.
What is the molecular weight of methyl 4,7-dimethyl-2,3-dihydro-1H-indene-2-carboxylate?
The molecular weight of methyl 4,7-dimethyl-2,3-dihydro-1H-indene-2-carboxylate is 204.12 g/mol.
Where can I buy methyl 4,7-dimethyl-2,3-dihydro-1H-indene-2-carboxylate?
You can request a quote for methyl 4,7-dimethyl-2,3-dihydro-1H-indene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4,7-dimethyl-2,3-dihydro-1H-indene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4,7-dimethyl-2,3-dihydro-1H-indene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.