Pyridin-2-thiocarbonsaeure-butylester
TL;DR: Pyridin-2-thiocarbonsaeure-butylester (CAS 5613-16-1) is a chemical compound with molecular formula C25H31NO4 and molecular weight 409.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexyl 4-(4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: Pyridin-2-thiocarbonsaeure-butylester, BAS 00545745, Picolinic acid, thio-, O-butyl ester (7CI,8CI), cyclohexyl 4-(4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, cyclohexyl 4-(4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
| Molecular Formula | C25H31NO4 |
|---|---|
| Molecular Weight | 409.23 g/mol |
| LogP | 4.8721 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.2253 |
| Heavy Atoms | 30 |
| Complexity | 916.9719 |
Chemical Identifiers
| CAS Number | 5613-16-1 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)O)C(=O)OC4CCCCC4 |
Product Overview
Pyridin-2-thiocarbonsaeure-butylester (CAS 5613-16-1), with molecular formula C25H31NO4 and molecular weight 409.23 g/mol. IUPAC: cyclohexyl 4-(4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of Pyridin-2-thiocarbonsaeure-butylester
Property Insights of Pyridin-2-thiocarbonsaeure-butylester
The XLogP value of 4.8721 indicates that Pyridin-2-thiocarbonsaeure-butylester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridin-2-thiocarbonsaeure-butylester. Following Lipinski's Rule of Five, Pyridin-2-thiocarbonsaeure-butylester has 2 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 Pyridin-2-thiocarbonsaeure-butylester?
The CAS number of Pyridin-2-thiocarbonsaeure-butylester is 5613-16-1.
What is the molecular formula of Pyridin-2-thiocarbonsaeure-butylester?
The molecular formula of Pyridin-2-thiocarbonsaeure-butylester is C25H31NO4.
What is the molecular weight of Pyridin-2-thiocarbonsaeure-butylester?
The molecular weight of Pyridin-2-thiocarbonsaeure-butylester is 409.23 g/mol.
Where can I buy Pyridin-2-thiocarbonsaeure-butylester?
You can request a quote for Pyridin-2-thiocarbonsaeure-butylester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridin-2-thiocarbonsaeure-butylester?
Yes, KEHONG BIO provides custom synthesis services for Pyridin-2-thiocarbonsaeure-butylester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.