N'-羟甲基去甲可替宁
TL;DR: N'-羟甲基去甲可替宁 (CAS 54229-51-5) is a chemical compound with molecular formula C10H12N2O2 and molecular weight 192.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-羟甲基去甲可替宁
1-(hydroxymethyl)-5-pyridin-3-ylpyrrolidin-2-one
Also Known As: n'-hydroxymethylnorcotinine, N'-hydroxymethyl-norcotinine, N'- Hydroxymethyl- norcotinine, 1-(hydroxymethyl)-5-pyridin-3-ylpyrrolidin-2-one, (5S)-1-(hydroxymethyl)-5-pyridin-3-ylpyrrolidin-2-one
| Molecular Formula | C10H12N2O2 |
|---|---|
| Molecular Weight | 192.09 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 53.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.08987 |
| Heavy Atoms | 14 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 54229-51-5 |
|---|---|
| SMILES | C1CC(=O)N(C1C2=CN=CC=C2)CO |
| InChIKey | GQUFOBHEPVFQMD-UHFFFAOYSA-N |
Product Overview
N'-羟甲基去甲可替宁 (CAS 54229-51-5), with molecular formula C10H12N2O2 and molecular weight 192.09 g/mol. IUPAC: 1-(hydroxymethyl)-5-pyridin-3-ylpyrrolidin-2-one.
Chemical Property Profile of N'-羟甲基去甲可替宁
Property Insights of N'-羟甲基去甲可替宁
The XLogP value of -0.4 indicates that N'-羟甲基去甲可替宁 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 53.4 Ų, N'-羟甲基去甲可替宁 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N'-羟甲基去甲可替宁 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 N'-羟甲基去甲可替宁?
The CAS number of N'-羟甲基去甲可替宁 is 54229-51-5.
What is the molecular formula of N'-羟甲基去甲可替宁?
The molecular formula of N'-羟甲基去甲可替宁 is C10H12N2O2.
What is the molecular weight of N'-羟甲基去甲可替宁?
The molecular weight of N'-羟甲基去甲可替宁 is 192.09 g/mol.
Where can I buy N'-羟甲基去甲可替宁?
You can request a quote for N'-羟甲基去甲可替宁 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-羟甲基去甲可替宁?
Yes, KEHONG BIO provides custom synthesis services for N'-羟甲基去甲可替宁 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.