RefChem:372854
TL;DR: RefChem:372854 (CAS 57036-93-8) is a chemical compound with molecular formula C16H19N3OS2 and molecular weight 333.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-amino-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
Also Known As: Piperidine, 1-((4-amino-2,3-dihydro-3-(2-methylphenyl)-2-thioxo-5-thiazolyl)carbonyl)-, [4-amino-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]-piperidin-1-ylmethanone, 1-((4-Amino-2,3-dihydro-3-(2-methylphenyl)-2-thioxo-5-thiazolyl)carbonyl)piperidine, 4-AMINO-3-(2-METHYLPHENYL)-5-(PIPERIDINE-1-CARBONYL)-2,3-DIHYDRO-1,3-THIAZOLE-2-THIONE, [4-Amino-3-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazol-5-yl](piperidin-1-yl)methanone
| Molecular Formula | C16H19N3OS2 |
|---|---|
| Molecular Weight | 333.10 g/mol |
| LogP | 3.78501 |
| Topological Polar Surface Area | 51.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 333.09695 |
| Heavy Atoms | 22 |
| Complexity | 756.9917 |
Chemical Identifiers
| CAS Number | 57036-93-8 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=C(SC2=S)C(=O)N3CCCCC3)N |
Product Overview
RefChem:372854 (CAS 57036-93-8), with molecular formula C16H19N3OS2 and molecular weight 333.10 g/mol. IUPAC: [4-amino-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazol-5-yl]-piperidin-1-ylmethanone.
Chemical Property Profile of RefChem:372854
Property Insights of RefChem:372854
The XLogP value of 3.78501 indicates that RefChem:372854 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.26 Ų, RefChem:372854 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:372854 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 RefChem:372854?
The CAS number of RefChem:372854 is 57036-93-8.
What is the molecular formula of RefChem:372854?
The molecular formula of RefChem:372854 is C16H19N3OS2.
What is the molecular weight of RefChem:372854?
The molecular weight of RefChem:372854 is 333.10 g/mol.
Where can I buy RefChem:372854?
You can request a quote for RefChem:372854 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:372854?
Yes, KEHONG BIO provides custom synthesis services for RefChem:372854 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.