NH3Css3Y9D
TL;DR: NH3Css3Y9D (CAS 757137-69-2) is a chemical compound with molecular formula C13H27N2+ and molecular weight 211.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-1-(piperidin-1-ylmethyl)piperidin-1-ium
Also Known As: 1-Ethyl-1-(1-piperidinylmethyl)piperidinium, Piperidinium, 1-ethyl-1-(1-piperidinylmethyl)-, 1-ethyl-1-(piperidin-1-ylmethyl)piperidin-1-ium
| Molecular Formula | C13H27N2+ |
|---|---|
| Molecular Weight | 211.22 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.21742 |
| Heavy Atoms | 15 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 757137-69-2 |
|---|---|
| SMILES | CC[N+]1(CCCCC1)CN2CCCCC2 |
| InChIKey | OBXPHAMTVXWVDG-UHFFFAOYSA-N |
Product Overview
NH3Css3Y9D (CAS 757137-69-2), with molecular formula C13H27N2+ and molecular weight 211.22 g/mol. IUPAC: 1-ethyl-1-(piperidin-1-ylmethyl)piperidin-1-ium.
Chemical Property Profile of NH3Css3Y9D
Property Insights of NH3Css3Y9D
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NH3Css3Y9D. With a topological polar surface area (TPSA) of 3.2 Ų, NH3Css3Y9D exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NH3Css3Y9D has 0 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 NH3Css3Y9D?
The CAS number of NH3Css3Y9D is 757137-69-2.
What is the molecular formula of NH3Css3Y9D?
The molecular formula of NH3Css3Y9D is C13H27N2+.
What is the molecular weight of NH3Css3Y9D?
The molecular weight of NH3Css3Y9D is 211.22 g/mol.
Where can I buy NH3Css3Y9D?
You can request a quote for NH3Css3Y9D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NH3Css3Y9D?
Yes, KEHONG BIO provides custom synthesis services for NH3Css3Y9D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.