N-(4-hydroxyphenethyl)cotinine carboxamide
TL;DR: N-(4-hydroxyphenethyl)cotinine carboxamide (CAS 100333-39-9) is a chemical compound with molecular formula C19H21N3O3 and molecular weight 339.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S)-N-[2-(4-hydroxyphenyl)ethyl]-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
Also Known As: 4-NCC, N-(4-Hydroxyphenethyl)cotinine carboxamide, (2S,3S)-N-[2-(4-hydroxyphenyl)ethyl]-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide, (2S,3S)-N-[2-(4-Hydroxyphenyl)ethyl]-1-methyl-5-oxo-2-(3-pyridinyl)-3-pyrrolidinecarboxamide, 3-Pyrrolidinecarboxamide, N-(2-(4-hydroxyphenyl)ethyl)-1-methyl-5-oxo-2-(3-pyridinyl)-, (2S-trans)-
| Molecular Formula | C19H21N3O3 |
|---|---|
| Molecular Weight | 339.16 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.1583 |
| Heavy Atoms | 25 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 100333-39-9 |
|---|---|
| SMILES | CN1[C@@H]([C@H](CC1=O)C(=O)NCCC2=CC=C(C=C2)O)C3=CN=CC=C3 |
| InChIKey | AYWZJRYYVZHOQI-FUHWJXTLSA-N |
Product Overview
N-(4-hydroxyphenethyl)cotinine carboxamide (CAS 100333-39-9), with molecular formula C19H21N3O3 and molecular weight 339.16 g/mol. IUPAC: (2S,3S)-N-[2-(4-hydroxyphenyl)ethyl]-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide.
Chemical Property Profile of N-(4-hydroxyphenethyl)cotinine carboxamide
Property Insights of N-(4-hydroxyphenethyl)cotinine carboxamide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-hydroxyphenethyl)cotinine carboxamide. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-hydroxyphenethyl)cotinine carboxamide. Following Lipinski's Rule of Five, N-(4-hydroxyphenethyl)cotinine carboxamide has 2 hydrogen bond donor(s) and 4 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-(4-hydroxyphenethyl)cotinine carboxamide?
The CAS number of N-(4-hydroxyphenethyl)cotinine carboxamide is 100333-39-9.
What is the molecular formula of N-(4-hydroxyphenethyl)cotinine carboxamide?
The molecular formula of N-(4-hydroxyphenethyl)cotinine carboxamide is C19H21N3O3.
What is the molecular weight of N-(4-hydroxyphenethyl)cotinine carboxamide?
The molecular weight of N-(4-hydroxyphenethyl)cotinine carboxamide is 339.16 g/mol.
Where can I buy N-(4-hydroxyphenethyl)cotinine carboxamide?
You can request a quote for N-(4-hydroxyphenethyl)cotinine carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-hydroxyphenethyl)cotinine carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-hydroxyphenethyl)cotinine carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.