RefChem:340282
TL;DR: RefChem:340282 (CAS 5069-94-3) is a chemical compound with molecular formula C18H31NO4S2 and molecular weight 389.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-di(propan-2-yl)-1-[4-(2-sulfosulfanylethylamino)butoxy]benzene
Also Known As: Ethanethiol, 2-((4-(2,4-diisopropylphenoxy)butyl)amino)-, hydrogen sulfate (ester), 2-((4-(2,4-Diisopropylphenoxy)butyl)amino)ethanethiol, hydrogen sulfate (ester), 2,4-di(propan-2-yl)-1-[4-(2-sulfosulfanylethylamino)butoxy]benzene, s-[2-({4-[2,4-di(propan-2-yl)phenoxy]butyl}amino)ethyl] hydrogen sulfurothioate, {[2-({4-[2,4-bis(propan-2-yl)phenoxy]butyl}amino)ethyl]sulfanyl}sulfonic acid
| Molecular Formula | C18H31NO4S2 |
|---|---|
| Molecular Weight | 389.17 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 389.16946 |
| Heavy Atoms | 25 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 5069-94-3 |
|---|---|
| SMILES | CC(C)C1=CC(=C(C=C1)OCCCCNCCSS(=O)(=O)O)C(C)C |
| InChIKey | PPAUTAJXWWGFIP-UHFFFAOYSA-N |
Product Overview
RefChem:340282 (CAS 5069-94-3), with molecular formula C18H31NO4S2 and molecular weight 389.17 g/mol. IUPAC: 2,4-di(propan-2-yl)-1-[4-(2-sulfosulfanylethylamino)butoxy]benzene.
Chemical Property Profile of RefChem:340282
Property Insights of RefChem:340282
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:340282. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:340282. Following Lipinski's Rule of Five, RefChem:340282 has 2 hydrogen bond donor(s) and 6 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:340282?
The CAS number of RefChem:340282 is 5069-94-3.
What is the molecular formula of RefChem:340282?
The molecular formula of RefChem:340282 is C18H31NO4S2.
What is the molecular weight of RefChem:340282?
The molecular weight of RefChem:340282 is 389.17 g/mol.
Where can I buy RefChem:340282?
You can request a quote for RefChem:340282 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:340282?
Yes, KEHONG BIO provides custom synthesis services for RefChem:340282 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.