NCIOpen2_006600
TL;DR: NCIOpen2_006600 (CAS 4071-15-2) is a chemical compound with molecular formula C15H20N2 and molecular weight 228.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-(piperidin-1-ylmethyl)-1H-indole
Also Known As: NCIOpen2_006600, 2-methyl-3-(piperidin-1-ylmethyl)-1h-indole, 2-methyl-3-piperidinomethyl-indole, 2-methyl-3-(1-piperidinylmethyl)-1h-indole, 2-Methyl-3-[(piperidin-1-yl)methyl]-1H-indole
| Molecular Formula | C15H20N2 |
|---|---|
| Molecular Weight | 228.16 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 19.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.16264 |
| Heavy Atoms | 17 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 4071-15-2 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)CN3CCCCC3 |
| InChIKey | WLTYXHKAKNGEJA-UHFFFAOYSA-N |
Product Overview
NCIOpen2_006600 (CAS 4071-15-2), with molecular formula C15H20N2 and molecular weight 228.16 g/mol. IUPAC: 2-methyl-3-(piperidin-1-ylmethyl)-1H-indole.
Chemical Property Profile of NCIOpen2_006600
Property Insights of NCIOpen2_006600
The XLogP value of 3.1 indicates that NCIOpen2_006600 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 19.0 Ų, NCIOpen2_006600 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCIOpen2_006600 has 1 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 NCIOpen2_006600?
The CAS number of NCIOpen2_006600 is 4071-15-2.
What is the molecular formula of NCIOpen2_006600?
The molecular formula of NCIOpen2_006600 is C15H20N2.
What is the molecular weight of NCIOpen2_006600?
The molecular weight of NCIOpen2_006600 is 228.16 g/mol.
Where can I buy NCIOpen2_006600?
You can request a quote for NCIOpen2_006600 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_006600?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_006600 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.