Propanethiol, 2-((5-(o-tolyl)pentyl)amino)-, hydrogen sulfate (ester)
TL;DR: Propanethiol, 2-((5-(o-tolyl)pentyl)amino)-, hydrogen sulfate (ester) (CAS 63991-72-0) is a chemical compound with molecular formula C15H25NO4S2 and molecular weight 347.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxy-2-[5-(3-sulfosulfanylpropylamino)pentyl]benzene
Also Known As: Propanethiol, 2-((5-(o-tolyl)pentyl)amino)-, hydrogen sulfate (ester), 2-((5-(o-Tolyl)pentyl)amino)propanethiol, hydrogen sulfate (ester), 1-methoxy-2-[5-(3-sulfosulfanylpropylamino)pentyl]benzene, S-(3-{[5-(2-methoxyphenyl)pentyl]amino}propyl) hydrogen sulfurothioate, Thiosulfuric acid (H2S2O3), S-[2-[[5-(2-methylphenyl)pentyl]amino]propyl] ester
| Molecular Formula | C15H25NO4S2 |
|---|---|
| Molecular Weight | 347.12 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 347.1225 |
| Heavy Atoms | 22 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 63991-72-0 |
|---|---|
| SMILES | COC1=CC=CC=C1CCCCCNCCCSS(=O)(=O)O |
| InChIKey | YCFUZOCNZLMFMG-UHFFFAOYSA-N |
Product Overview
Propanethiol, 2-((5-(o-tolyl)pentyl)amino)-, hydrogen sulfate (ester) (CAS 63991-72-0), with molecular formula C15H25NO4S2 and molecular weight 347.12 g/mol. IUPAC: 1-methoxy-2-[5-(3-sulfosulfanylpropylamino)pentyl]benzene.
Chemical Property Profile of Propanethiol, 2-((5-(o-tolyl)pentyl)amino)-, hydrogen sulfate (ester)
Property Insights of Propanethiol, 2-((5-(o-tolyl)pentyl)amino)-, hydrogen sulfate (ester)
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanethiol, 2-((5-(o-tolyl)pentyl)amino)-, hydrogen sulfate (ester). The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanethiol, 2-((5-(o-tolyl)pentyl)amino)-, hydrogen sulfate (ester). Following Lipinski's Rule of Five, Propanethiol, 2-((5-(o-tolyl)pentyl)amino)-, hydrogen sulfate (ester) 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 Propanethiol, 2-((5-(o-tolyl)pentyl)amino)-, hydrogen sulfate (ester)?
The CAS number of Propanethiol, 2-((5-(o-tolyl)pentyl)amino)-, hydrogen sulfate (ester) is 63991-72-0.
What is the molecular formula of Propanethiol, 2-((5-(o-tolyl)pentyl)amino)-, hydrogen sulfate (ester)?
The molecular formula of Propanethiol, 2-((5-(o-tolyl)pentyl)amino)-, hydrogen sulfate (ester) is C15H25NO4S2.
What is the molecular weight of Propanethiol, 2-((5-(o-tolyl)pentyl)amino)-, hydrogen sulfate (ester)?
The molecular weight of Propanethiol, 2-((5-(o-tolyl)pentyl)amino)-, hydrogen sulfate (ester) is 347.12 g/mol.
Where can I buy Propanethiol, 2-((5-(o-tolyl)pentyl)amino)-, hydrogen sulfate (ester)?
You can request a quote for Propanethiol, 2-((5-(o-tolyl)pentyl)amino)-, hydrogen sulfate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanethiol, 2-((5-(o-tolyl)pentyl)amino)-, hydrogen sulfate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Propanethiol, 2-((5-(o-tolyl)pentyl)amino)-, hydrogen sulfate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.