dipropyl thiosulfonate
TL;DR: dipropyl thiosulfonate (CAS 33646-18-3) is a chemical compound with molecular formula C11H16O5 and molecular weight 228.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(3-oxocyclohexyl)propanedioate
Also Known As: dipropyl thiosulfonate, Propyl propane thiosulfonate, Propyl propanethiosulfonate, dimethyl 2-(3-oxocyclohexyl)propanedioate, dimethyl (3-oxocyclohexyl)malonate
| Molecular Formula | C11H16O5 |
|---|---|
| Molecular Weight | 228.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.09978 |
| Heavy Atoms | 16 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 33646-18-3 |
|---|---|
| SMILES | COC(=O)C(C1CCCC(=O)C1)C(=O)OC |
| InChIKey | XRRVFMYYAGGSJO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
dipropyl thiosulfonate (CAS 33646-18-3), with molecular formula C11H16O5 and molecular weight 228.10 g/mol. IUPAC: dimethyl 2-(3-oxocyclohexyl)propanedioate.
Chemical Property Profile of dipropyl thiosulfonate
Property Insights of dipropyl thiosulfonate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dipropyl thiosulfonate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for dipropyl thiosulfonate. Following Lipinski's Rule of Five, dipropyl thiosulfonate has 0 hydrogen bond donor(s) and 5 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 dipropyl thiosulfonate?
The CAS number of dipropyl thiosulfonate is 33646-18-3.
What is the molecular formula of dipropyl thiosulfonate?
The molecular formula of dipropyl thiosulfonate is C11H16O5.
What is the molecular weight of dipropyl thiosulfonate?
The molecular weight of dipropyl thiosulfonate is 228.10 g/mol.
Where can I buy dipropyl thiosulfonate?
You can request a quote for dipropyl thiosulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dipropyl thiosulfonate?
Yes, KEHONG BIO provides custom synthesis services for dipropyl thiosulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.