RefChem:283000
TL;DR: RefChem:283000 (CAS 522597-49-5) is a chemical compound with molecular formula C18H27N3S2 and molecular weight 349.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butyl-3-(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 3H-1,2,4-Triazole-3-thione, 4-butyl-5-[6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thien-3-yl]-2,4-dihydro-, 4-butyl-3-(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione, 4-butyl-5-(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)-4H-1,2,4-triazole-3-thiol, 4-butyl-5-(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole-3-thiol, 3H-1,2,4-Triazole-3-thione, 4-butyl-5-(6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo(b)thien-3-yl)-2,4-dihydro-
| Molecular Formula | C18H27N3S2 |
|---|---|
| Molecular Weight | 349.16 g/mol |
| LogP | 5.62029 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.16464 |
| Heavy Atoms | 23 |
| Complexity | 730.2662 |
Chemical Identifiers
| CAS Number | 522597-49-5 |
|---|---|
| SMILES | CCCCN1C(=NNC1=S)C2=CSC3=C2CCC(C3)C(C)(C)C |
Product Overview
RefChem:283000 (CAS 522597-49-5), with molecular formula C18H27N3S2 and molecular weight 349.16 g/mol. IUPAC: 4-butyl-3-(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of RefChem:283000
Property Insights of RefChem:283000
The XLogP value of 5.62029 indicates that RefChem:283000 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.61 Ų, RefChem:283000 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:283000 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:283000?
The CAS number of RefChem:283000 is 522597-49-5.
What is the molecular formula of RefChem:283000?
The molecular formula of RefChem:283000 is C18H27N3S2.
What is the molecular weight of RefChem:283000?
The molecular weight of RefChem:283000 is 349.16 g/mol.
Where can I buy RefChem:283000?
You can request a quote for RefChem:283000 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:283000?
Yes, KEHONG BIO provides custom synthesis services for RefChem:283000 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.