3-Mercaptooctanal
TL;DR: 3-Mercaptooctanal (CAS 473438-39-0) is a chemical compound with molecular formula C8H16OS and molecular weight 160.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-sulfanyloctanal
Also Known As: 3-Mercaptooctanal, 3-sulfanyloctanal, Octanal, 3-mercapto-, J1.843.512H, RefChem:94547
| Molecular Formula | C8H16OS |
|---|---|
| Molecular Weight | 160.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 18.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 160.0922 |
| Heavy Atoms | 10 |
| Complexity | 83.0 |
Chemical Identifiers
| CAS Number | 473438-39-0 |
|---|---|
| SMILES | CCCCCC(CC=O)S |
| InChIKey | CQZARDZYAZYHBT-UHFFFAOYSA-N |
Product Overview
3-Mercaptooctanal (CAS 473438-39-0), with molecular formula C8H16OS and molecular weight 160.09 g/mol. IUPAC: 3-sulfanyloctanal.
Chemical Property Profile of 3-Mercaptooctanal
Property Insights of 3-Mercaptooctanal
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Mercaptooctanal. With a topological polar surface area (TPSA) of 18.1 Ų, 3-Mercaptooctanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Mercaptooctanal has 1 hydrogen bond donor(s) and 2 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 3-Mercaptooctanal?
The CAS number of 3-Mercaptooctanal is 473438-39-0.
What is the molecular formula of 3-Mercaptooctanal?
The molecular formula of 3-Mercaptooctanal is C8H16OS.
What is the molecular weight of 3-Mercaptooctanal?
The molecular weight of 3-Mercaptooctanal is 160.09 g/mol.
Where can I buy 3-Mercaptooctanal?
You can request a quote for 3-Mercaptooctanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Mercaptooctanal?
Yes, KEHONG BIO provides custom synthesis services for 3-Mercaptooctanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.