Pyridine,3-(1-isothiocyanatopropyl)
TL;DR: Pyridine,3-(1-isothiocyanatopropyl) (CAS 6029-19-2) is a chemical compound with molecular formula C24H25F2N5O and molecular weight 437.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide
Also Known As: Pyridine,3-(1-isothiocyanatopropyl), 4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide, 4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide, 4-(5-Benzyl-2,6-dimethylpyrimidin-4-yl)-N-(3,4-difluorophenyl)piperazine-1-carboximidic acid
| Molecular Formula | C24H25F2N5O |
|---|---|
| Molecular Weight | 437.20 g/mol |
| LogP | 4.31654 |
| Topological Polar Surface Area | 61.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 437.20273 |
| Heavy Atoms | 32 |
| Complexity | 1114.8724 |
Chemical Identifiers
| CAS Number | 6029-19-2 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC3=CC(=C(C=C3)F)F)CC4=CC=CC=C4 |
Product Overview
Pyridine,3-(1-isothiocyanatopropyl) (CAS 6029-19-2), with molecular formula C24H25F2N5O and molecular weight 437.20 g/mol. IUPAC: 4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide.
Chemical Property Profile of Pyridine,3-(1-isothiocyanatopropyl)
Property Insights of Pyridine,3-(1-isothiocyanatopropyl)
The XLogP value of 4.31654 indicates that Pyridine,3-(1-isothiocyanatopropyl) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridine,3-(1-isothiocyanatopropyl). Following Lipinski's Rule of Five, Pyridine,3-(1-isothiocyanatopropyl) has 1 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 Pyridine,3-(1-isothiocyanatopropyl)?
The CAS number of Pyridine,3-(1-isothiocyanatopropyl) is 6029-19-2.
What is the molecular formula of Pyridine,3-(1-isothiocyanatopropyl)?
The molecular formula of Pyridine,3-(1-isothiocyanatopropyl) is C24H25F2N5O.
What is the molecular weight of Pyridine,3-(1-isothiocyanatopropyl)?
The molecular weight of Pyridine,3-(1-isothiocyanatopropyl) is 437.20 g/mol.
Where can I buy Pyridine,3-(1-isothiocyanatopropyl)?
You can request a quote for Pyridine,3-(1-isothiocyanatopropyl) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridine,3-(1-isothiocyanatopropyl)?
Yes, KEHONG BIO provides custom synthesis services for Pyridine,3-(1-isothiocyanatopropyl) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.