S-((4- O- 3-pyridinylcarbonimidothioate
TL;DR: S-((4- O- 3-pyridinylcarbonimidothioate (CAS 42754-22-3) is a chemical compound with molecular formula C26H36N2OS and molecular weight 424.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[(4-tert-butylphenyl)methyl] N-[2-(3,3,5-trimethylcyclohexyl)-3-pyridinyl]carbamothioate
Also Known As: S-((4- O- 3-pyridinylcarbonimidothioate, Carbonimidothioic acid, 3-pyridinyl-, S-((4-(1,1-dimethylethyl)phenyl)methyl) O-(3,3,5-trimethylcyclohexyl) ester, S-[(4-tert-butylphenyl)methyl] N-[2-(3,3,5-trimethylcyclohexyl)pyridin-3-yl]carbamothioate, 1-[(4-tert-butylphenyl)methylsulfanyl]-N-[2-(3,3,5-trimethylcyclohexyl)pyridin-3-yl]formamide, S-((4-(1,1-DIMETHYLETHYL)PHENYL)METHYL) O-(3,3,5-TRIMETHYLCYCLOHEXYL) PYRIDIN-3-YLCARBONIMIDOTHIOATE
| Molecular Formula | C26H36N2OS |
|---|---|
| Molecular Weight | 424.25 g/mol |
| LogP | 7.7742 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.25482 |
| Heavy Atoms | 30 |
| Complexity | 867.3475 |
Chemical Identifiers
| CAS Number | 42754-22-3 |
|---|---|
| SMILES | CC1CC(CC(C1)(C)C)C2=C(C=CC=N2)NC(=O)SCC3=CC=C(C=C3)C(C)(C)C |
Product Overview
S-((4- O- 3-pyridinylcarbonimidothioate (CAS 42754-22-3), with molecular formula C26H36N2OS and molecular weight 424.25 g/mol. IUPAC: S-[(4-tert-butylphenyl)methyl] N-[2-(3,3,5-trimethylcyclohexyl)-3-pyridinyl]carbamothioate.
Chemical Property Profile of S-((4- O- 3-pyridinylcarbonimidothioate
Property Insights of S-((4- O- 3-pyridinylcarbonimidothioate
The XLogP value of 7.7742 indicates that S-((4- O- 3-pyridinylcarbonimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.99 Ų, S-((4- O- 3-pyridinylcarbonimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-((4- O- 3-pyridinylcarbonimidothioate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-((4- O- 3-pyridinylcarbonimidothioate?
The CAS number of S-((4- O- 3-pyridinylcarbonimidothioate is 42754-22-3.
What is the molecular formula of S-((4- O- 3-pyridinylcarbonimidothioate?
The molecular formula of S-((4- O- 3-pyridinylcarbonimidothioate is C26H36N2OS.
What is the molecular weight of S-((4- O- 3-pyridinylcarbonimidothioate?
The molecular weight of S-((4- O- 3-pyridinylcarbonimidothioate is 424.25 g/mol.
Where can I buy S-((4- O- 3-pyridinylcarbonimidothioate?
You can request a quote for S-((4- O- 3-pyridinylcarbonimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-((4- O- 3-pyridinylcarbonimidothioate?
Yes, KEHONG BIO provides custom synthesis services for S-((4- O- 3-pyridinylcarbonimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.