3-Mercaptoheptyl acetate
TL;DR: 3-Mercaptoheptyl acetate (CAS 548774-80-7) is a chemical compound with molecular formula C9H18O2S and molecular weight 190.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-sulfanylheptyl acetate
Also Known As: 3-MERCAPTOHEPTYL ACETATE, 3-sulfanylheptyl acetate, 3-mercaptoheptyl-acetate, FEMA no. 4289, 1,3-Heptanedithiol, 1-acetate
| Molecular Formula | C9H18O2S |
|---|---|
| Molecular Weight | 190.10 g/mol |
| LogP | 2.4282 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 190.10275 |
| Heavy Atoms | 12 |
| Complexity | 125.696945 |
Chemical Identifiers
| CAS Number | 548774-80-7 |
|---|---|
| SMILES | CCCCC(CCOC(=O)C)S |
Product Overview
3-Mercaptoheptyl acetate (CAS 548774-80-7), with molecular formula C9H18O2S and molecular weight 190.10 g/mol. IUPAC: 3-sulfanylheptyl acetate.
Chemical Property Profile of 3-Mercaptoheptyl acetate
Property Insights of 3-Mercaptoheptyl acetate
The XLogP value of 2.4282 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Mercaptoheptyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Mercaptoheptyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Mercaptoheptyl acetate has 1 hydrogen bond donor(s) and 3 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-Mercaptoheptyl acetate?
The CAS number of 3-Mercaptoheptyl acetate is 548774-80-7.
What is the molecular formula of 3-Mercaptoheptyl acetate?
The molecular formula of 3-Mercaptoheptyl acetate is C9H18O2S.
What is the molecular weight of 3-Mercaptoheptyl acetate?
The molecular weight of 3-Mercaptoheptyl acetate is 190.10 g/mol.
Where can I buy 3-Mercaptoheptyl acetate?
You can request a quote for 3-Mercaptoheptyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Mercaptoheptyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Mercaptoheptyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.