RefChem:333501
TL;DR: RefChem:333501 (CAS 51308-70-4) 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-(3-methylbutyl)-3-pyridinyl]carbamothioate
Also Known As: Carbonimidothioic acid, 3-pyridinyl-, S-((4-(1,1-dimethylethyl)phenyl)methyl)O-(3-methylbutyl) ester, N-[2-(3-methylbutyl)pyridin-3-yl]-1-[(4-tert-butylphenyl)methylsulfanyl]formamide, S-[(4-tert-Butylphenyl)methyl] [2-(3-methylbutyl)pyridin-3-yl]carbamothioate, S-[(4-tert-butylphenyl)methyl] N-[2-(3-methylbutyl)pyridin-3-yl]carbamothioate, RefChem:333501
| Molecular Formula | C22H30N2OS |
|---|---|
| Molecular Weight | 370.21 g/mol |
| LogP | 6.433 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 370.2079 |
| Heavy Atoms | 26 |
| Complexity | 717.66724 |
Chemical Identifiers
| CAS Number | 51308-70-4 |
|---|---|
| SMILES | CC(C)CCC1=C(C=CC=N1)NC(=O)SCC2=CC=C(C=C2)C(C)(C)C |
Product Overview
RefChem:333501 (CAS 51308-70-4), with molecular formula C22H30N2OS and molecular weight 370.21 g/mol. IUPAC: S-[(4-tert-butylphenyl)methyl] N-[2-(3-methylbutyl)-3-pyridinyl]carbamothioate.
Chemical Property Profile of RefChem:333501
Property Insights of RefChem:333501
The XLogP value of 6.433 indicates that RefChem:333501 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:333501 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:333501 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:333501?
The CAS number of RefChem:333501 is 51308-70-4.
What is the molecular formula of RefChem:333501?
The molecular formula of RefChem:333501 is C22H30N2OS.
What is the molecular weight of RefChem:333501?
The molecular weight of RefChem:333501 is 370.21 g/mol.
Where can I buy RefChem:333501?
You can request a quote for RefChem:333501 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:333501?
Yes, KEHONG BIO provides custom synthesis services for RefChem:333501 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.