n-Hexasulfonyl-2-propanone
TL;DR: n-Hexasulfonyl-2-propanone (CAS 86453-14-7) is a chemical compound with molecular formula C9H18O3S and molecular weight 206.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hexylsulfonylpropan-2-one
Also Known As: n-Hexasulfonyl-2-propanone, 1-hexylsulfonylpropan-2-one, 1-(hexane-1-sulfonyl)propan-2-one
| Molecular Formula | C9H18O3S |
|---|---|
| Molecular Weight | 206.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 206.09767 |
| Heavy Atoms | 13 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 86453-14-7 |
|---|---|
| SMILES | CCCCCCS(=O)(=O)CC(=O)C |
| InChIKey | FIMACEIKKPQUFZ-UHFFFAOYSA-N |
Product Overview
n-Hexasulfonyl-2-propanone (CAS 86453-14-7), with molecular formula C9H18O3S and molecular weight 206.10 g/mol. IUPAC: 1-hexylsulfonylpropan-2-one.
Chemical Property Profile of n-Hexasulfonyl-2-propanone
Property Insights of n-Hexasulfonyl-2-propanone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-Hexasulfonyl-2-propanone. With a topological polar surface area (TPSA) of 59.6 Ų, n-Hexasulfonyl-2-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-Hexasulfonyl-2-propanone has 0 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 n-Hexasulfonyl-2-propanone?
The CAS number of n-Hexasulfonyl-2-propanone is 86453-14-7.
What is the molecular formula of n-Hexasulfonyl-2-propanone?
The molecular formula of n-Hexasulfonyl-2-propanone is C9H18O3S.
What is the molecular weight of n-Hexasulfonyl-2-propanone?
The molecular weight of n-Hexasulfonyl-2-propanone is 206.10 g/mol.
Where can I buy n-Hexasulfonyl-2-propanone?
You can request a quote for n-Hexasulfonyl-2-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Hexasulfonyl-2-propanone?
Yes, KEHONG BIO provides custom synthesis services for n-Hexasulfonyl-2-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.