4-oxaheptane-1,7-ditosylate
TL;DR: 4-oxaheptane-1,7-ditosylate (CAS 55005-96-4) is a chemical compound with molecular formula C20H26O7S2 and molecular weight 442.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(4-methylphenyl)sulfonyloxypropoxy]propyl 4-methylbenzenesulfonate
Also Known As: 4-oxaheptane-1,7-ditosylate, BAS 00104205, 4-Oxaheptamethylene bis(p-toluenesulfonate), AH-034/32828017, oxydipropane-3,1-diyl bis(4-methylbenzenesulfonate)
| Molecular Formula | C20H26O7S2 |
|---|---|
| Molecular Weight | 442.11 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 442.112 |
| Heavy Atoms | 29 |
| Complexity | 590.0 |
Chemical Identifiers
| CAS Number | 55005-96-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCCOCCCOS(=O)(=O)C2=CC=C(C=C2)C |
| InChIKey | KHUGAMZTNKBNFW-UHFFFAOYSA-N |
Product Overview
4-oxaheptane-1,7-ditosylate (CAS 55005-96-4), with molecular formula C20H26O7S2 and molecular weight 442.11 g/mol. IUPAC: 3-[3-(4-methylphenyl)sulfonyloxypropoxy]propyl 4-methylbenzenesulfonate.
Chemical Property Profile of 4-oxaheptane-1,7-ditosylate
Property Insights of 4-oxaheptane-1,7-ditosylate
The XLogP value of 3.5 indicates that 4-oxaheptane-1,7-ditosylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-oxaheptane-1,7-ditosylate. Following Lipinski's Rule of Five, 4-oxaheptane-1,7-ditosylate has 0 hydrogen bond donor(s) and 7 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 4-oxaheptane-1,7-ditosylate?
The CAS number of 4-oxaheptane-1,7-ditosylate is 55005-96-4.
What is the molecular formula of 4-oxaheptane-1,7-ditosylate?
The molecular formula of 4-oxaheptane-1,7-ditosylate is C20H26O7S2.
What is the molecular weight of 4-oxaheptane-1,7-ditosylate?
The molecular weight of 4-oxaheptane-1,7-ditosylate is 442.11 g/mol.
Where can I buy 4-oxaheptane-1,7-ditosylate?
You can request a quote for 4-oxaheptane-1,7-ditosylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-oxaheptane-1,7-ditosylate?
Yes, KEHONG BIO provides custom synthesis services for 4-oxaheptane-1,7-ditosylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.