4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanol
TL;DR: 4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanol (CAS 76014-81-8) is a chemical compound with molecular formula C10H15N3O2 and molecular weight 209.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-hydroxy-4-pyridin-3-ylbutyl)-N-methylnitrous amide
Also Known As: nnal, 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol, Racemic NNAL, NNAL cpd, MNAPB cpd
| Molecular Formula | C10H15N3O2 |
|---|---|
| Molecular Weight | 209.12 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 65.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 209.11642 |
| Heavy Atoms | 15 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 76014-81-8 |
|---|---|
| SMILES | CN(CCCC(C1=CN=CC=C1)O)N=O |
| InChIKey | OGRXKBUCZFFSTL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanol (CAS 76014-81-8), with molecular formula C10H15N3O2 and molecular weight 209.12 g/mol. IUPAC: N-(4-hydroxy-4-pyridin-3-ylbutyl)-N-methylnitrous amide.
Chemical Property Profile of 4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanol
Property Insights of 4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanol
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanol. The TPSA of 65.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanol. Following Lipinski's Rule of Five, 4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanol has 1 hydrogen bond donor(s) and 5 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 4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanol?
The CAS number of 4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanol is 76014-81-8.
What is the molecular formula of 4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanol?
The molecular formula of 4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanol is C10H15N3O2.
What is the molecular weight of 4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanol?
The molecular weight of 4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanol is 209.12 g/mol.
Where can I buy 4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanol?
You can request a quote for 4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanol?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.