10,11-开环麦角灵
TL;DR: 10,11-开环麦角灵 (CAS 5275-05-8) is a chemical compound with molecular formula C14H18N2 and molecular weight 214.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10,11-开环麦角灵
3-(piperidin-2-ylmethyl)-1H-indole
Also Known As: 3-(2-Piperidylmethyl)indole, 3-[(Piperidin-2-yl)methyl]-1H-indole, 3-(2-piperidinylmethyl)indole, 3-(piperidin-2-ylmethyl)-1H-indole, INDOLE, 3-(2-PIPERIDYLMETHYL)-
| Molecular Formula | C14H18N2 |
|---|---|
| Molecular Weight | 214.15 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 27.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.147 |
| Heavy Atoms | 16 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 5275-05-8 |
|---|---|
| SMILES | C1CCNC(C1)CC2=CNC3=CC=CC=C32 |
| InChIKey | NQAIQKCDQAOHIA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
10,11-开环麦角灵 (CAS 5275-05-8), with molecular formula C14H18N2 and molecular weight 214.15 g/mol. IUPAC: 3-(piperidin-2-ylmethyl)-1H-indole.
Chemical Property Profile of 10,11-开环麦角灵
Property Insights of 10,11-开环麦角灵
The XLogP value of 3.0 indicates that 10,11-开环麦角灵 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.8 Ų, 10,11-开环麦角灵 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 10,11-开环麦角灵 has 2 hydrogen bond donor(s) and 1 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 10,11-开环麦角灵?
The CAS number of 10,11-开环麦角灵 is 5275-05-8.
What is the molecular formula of 10,11-开环麦角灵?
The molecular formula of 10,11-开环麦角灵 is C14H18N2.
What is the molecular weight of 10,11-开环麦角灵?
The molecular weight of 10,11-开环麦角灵 is 214.15 g/mol.
Where can I buy 10,11-开环麦角灵?
You can request a quote for 10,11-开环麦角灵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10,11-开环麦角灵?
Yes, KEHONG BIO provides custom synthesis services for 10,11-开环麦角灵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.