1-Butanone-4,4-d2, 4-(methylnitrosoamino)-1-(3-pyridinyl)-
TL;DR: 1-Butanone-4,4-d2, 4-(methylnitrosoamino)-1-(3-pyridinyl)- (CAS 86270-91-9) is a chemical compound with molecular formula C10H13N3O2 and molecular weight 209.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,1-dideuterio-4-oxo-4-pyridin-3-ylbutyl)-N-methylnitrous amide
Also Known As: NNK (carcinogen), 1-Butanone-4,4-d2, 4-(methylnitrosoamino)-1-(3-pyridinyl)-, 4-(Methylnitrosoamino)-1-(3-pyridinyl)-1-butanone-4,4-d2, 4,4-Dideutero-4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone, 4-(Methylnitrosoamino)-1-(3-pyridyl)-(4,4-2H2)-1-butanone
| Molecular Formula | C10H13N3O2 |
|---|---|
| Molecular Weight | 209.11 g/mol |
| LogP | 1.6577 |
| Topological Polar Surface Area | 62.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 209.11333 |
| Heavy Atoms | 15 |
| Complexity | 397.7973 |
Chemical Identifiers
| CAS Number | 86270-91-9 |
|---|---|
| SMILES | [2H]C([2H])(CCC(=O)C1=CN=CC=C1)N(C)N=O |
Product Overview
1-Butanone-4,4-d2, 4-(methylnitrosoamino)-1-(3-pyridinyl)- (CAS 86270-91-9), with molecular formula C10H13N3O2 and molecular weight 209.11 g/mol. IUPAC: N-(1,1-dideuterio-4-oxo-4-pyridin-3-ylbutyl)-N-methylnitrous amide.
Chemical Property Profile of 1-Butanone-4,4-d2, 4-(methylnitrosoamino)-1-(3-pyridinyl)-
Property Insights of 1-Butanone-4,4-d2, 4-(methylnitrosoamino)-1-(3-pyridinyl)-
The XLogP value of 1.6577 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butanone-4,4-d2, 4-(methylnitrosoamino)-1-(3-pyridinyl)-. The TPSA of 62.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butanone-4,4-d2, 4-(methylnitrosoamino)-1-(3-pyridinyl)-. Following Lipinski's Rule of Five, 1-Butanone-4,4-d2, 4-(methylnitrosoamino)-1-(3-pyridinyl)- has 0 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 1-Butanone-4,4-d2, 4-(methylnitrosoamino)-1-(3-pyridinyl)-?
The CAS number of 1-Butanone-4,4-d2, 4-(methylnitrosoamino)-1-(3-pyridinyl)- is 86270-91-9.
What is the molecular formula of 1-Butanone-4,4-d2, 4-(methylnitrosoamino)-1-(3-pyridinyl)-?
The molecular formula of 1-Butanone-4,4-d2, 4-(methylnitrosoamino)-1-(3-pyridinyl)- is C10H13N3O2.
What is the molecular weight of 1-Butanone-4,4-d2, 4-(methylnitrosoamino)-1-(3-pyridinyl)-?
The molecular weight of 1-Butanone-4,4-d2, 4-(methylnitrosoamino)-1-(3-pyridinyl)- is 209.11 g/mol.
Where can I buy 1-Butanone-4,4-d2, 4-(methylnitrosoamino)-1-(3-pyridinyl)-?
You can request a quote for 1-Butanone-4,4-d2, 4-(methylnitrosoamino)-1-(3-pyridinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butanone-4,4-d2, 4-(methylnitrosoamino)-1-(3-pyridinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanone-4,4-d2, 4-(methylnitrosoamino)-1-(3-pyridinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.