1-(3-吲哚甲基)哌啶-3-甲酸乙酯
TL;DR: 1-(3-吲哚甲基)哌啶-3-甲酸乙酯 (CAS 101602-77-1) is a chemical compound with molecular formula C17H22N2O2 and molecular weight 286.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-吲哚甲基)哌啶-3-甲酸乙酯
ethyl 1-(1H-indol-3-ylmethyl)piperidine-3-carboxylate
Also Known As: 1-(3-Indolylmethyl)nipecotic acid ethyl ester, Ethyl 1-((1H-indol-3-yl)methyl)piperidine-3-carboxylate, NIPECOTIC ACID, 1-(3-INDOLYLMETHYL)-, ETHYL ESTER, 4-22-00-04311 (Beilstein Handbook Reference), ethyl 1-(1H-indol-3-ylmethyl)piperidine-3-carboxylate
| Molecular Formula | C17H22N2O2 |
|---|---|
| Molecular Weight | 286.17 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 286.16812 |
| Heavy Atoms | 21 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 101602-77-1 |
|---|---|
| SMILES | CCOC(=O)C1CCCN(C1)CC2=CNC3=CC=CC=C32 |
| InChIKey | KQXOXXXVFSNDET-UHFFFAOYSA-N |
Product Overview
1-(3-吲哚甲基)哌啶-3-甲酸乙酯 (CAS 101602-77-1), with molecular formula C17H22N2O2 and molecular weight 286.17 g/mol. IUPAC: ethyl 1-(1H-indol-3-ylmethyl)piperidine-3-carboxylate.
Chemical Property Profile of 1-(3-吲哚甲基)哌啶-3-甲酸乙酯
Property Insights of 1-(3-吲哚甲基)哌啶-3-甲酸乙酯
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-吲哚甲基)哌啶-3-甲酸乙酯. With a topological polar surface area (TPSA) of 45.3 Ų, 1-(3-吲哚甲基)哌啶-3-甲酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-吲哚甲基)哌啶-3-甲酸乙酯 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 1-(3-吲哚甲基)哌啶-3-甲酸乙酯?
The CAS number of 1-(3-吲哚甲基)哌啶-3-甲酸乙酯 is 101602-77-1.
What is the molecular formula of 1-(3-吲哚甲基)哌啶-3-甲酸乙酯?
The molecular formula of 1-(3-吲哚甲基)哌啶-3-甲酸乙酯 is C17H22N2O2.
What is the molecular weight of 1-(3-吲哚甲基)哌啶-3-甲酸乙酯?
The molecular weight of 1-(3-吲哚甲基)哌啶-3-甲酸乙酯 is 286.17 g/mol.
Where can I buy 1-(3-吲哚甲基)哌啶-3-甲酸乙酯?
You can request a quote for 1-(3-吲哚甲基)哌啶-3-甲酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-吲哚甲基)哌啶-3-甲酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-吲哚甲基)哌啶-3-甲酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.