2-methylcyclopentyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
TL;DR: 2-methylcyclopentyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate (CAS 847465-17-2) is a chemical compound with molecular formula C16H21NO3 and molecular weight 275.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylcyclopentyl) 3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
Also Known As: BAS 12519669, 2-methylcyclopentyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate, 2-methylcyclopentyl 3-methyl-4-oxo-5,6,7-trihydroindole-2-carboxylate, (2-methylcyclopentyl) 3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
| Molecular Formula | C16H21NO3 |
|---|---|
| Molecular Weight | 275.15 g/mol |
| LogP | 3.18752 |
| Topological Polar Surface Area | 59.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 275.15213 |
| Heavy Atoms | 20 |
| Complexity | 558.31335 |
Chemical Identifiers
| CAS Number | 847465-17-2 |
|---|---|
| SMILES | CC1CCCC1OC(=O)C2=C(C3=C(N2)CCCC3=O)C |
Product Overview
2-methylcyclopentyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate (CAS 847465-17-2), with molecular formula C16H21NO3 and molecular weight 275.15 g/mol. IUPAC: (2-methylcyclopentyl) 3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate.
Chemical Property Profile of 2-methylcyclopentyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
Property Insights of 2-methylcyclopentyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
The XLogP value of 3.18752 indicates that 2-methylcyclopentyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.16 Ų, 2-methylcyclopentyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-methylcyclopentyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate has 1 hydrogen bond donor(s) and 3 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 2-methylcyclopentyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate?
The CAS number of 2-methylcyclopentyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate is 847465-17-2.
What is the molecular formula of 2-methylcyclopentyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate?
The molecular formula of 2-methylcyclopentyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate is C16H21NO3.
What is the molecular weight of 2-methylcyclopentyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate?
The molecular weight of 2-methylcyclopentyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate is 275.15 g/mol.
Where can I buy 2-methylcyclopentyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate?
You can request a quote for 2-methylcyclopentyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methylcyclopentyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-methylcyclopentyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.