RefChem:333493
TL;DR: RefChem:333493 (CAS 51308-67-9) is a chemical compound with molecular formula C22H30N2OS and molecular weight 370.21 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-pentyl-3-pyridinyl)carbamothioate
Also Known As: S-((4-(1,1-Dimethylethyl)phenyl)methyl) O-pentyl 3-pyridinylcarbonimidothioate, Carbonimidothioic acid, 3-pyridinyl-, S-((4-(1,1-dimethylethyl)phenyl)methyl) O-pentyl ester, S-[(4-tert-butylphenyl)methyl] N-(2-pentylpyridin-3-yl)carbamothioate, S-[(4-tert-Butylphenyl)methyl] (2-pentylpyridin-3-yl)carbamothioate, Carbonimidothioic acid,3-pyridinyl-, S-[[4-(1,1-dimethylethyl)phenyl]methyl] O-pentyl ester (9CI)
| Molecular Formula | C22H30N2OS |
|---|---|
| Molecular Weight | 370.21 g/mol |
| LogP | 6.5771 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 370.2079 |
| Heavy Atoms | 26 |
| Complexity | 704.82733 |
Chemical Identifiers
| CAS Number | 51308-67-9 |
|---|---|
| SMILES | CCCCCC1=C(C=CC=N1)NC(=O)SCC2=CC=C(C=C2)C(C)(C)C |
Product Overview
RefChem:333493 (CAS 51308-67-9), with molecular formula C22H30N2OS and molecular weight 370.21 g/mol. IUPAC: S-[(4-tert-butylphenyl)methyl] N-(2-pentyl-3-pyridinyl)carbamothioate.
Chemical Property Profile of RefChem:333493
Property Insights of RefChem:333493
The XLogP value of 6.5771 indicates that RefChem:333493 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.99 Ų, RefChem:333493 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:333493 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 RefChem:333493?
The CAS number of RefChem:333493 is 51308-67-9.
What is the molecular formula of RefChem:333493?
The molecular formula of RefChem:333493 is C22H30N2OS.
What is the molecular weight of RefChem:333493?
The molecular weight of RefChem:333493 is 370.21 g/mol.
Where can I buy RefChem:333493?
You can request a quote for RefChem:333493 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:333493?
Yes, KEHONG BIO provides custom synthesis services for RefChem:333493 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.