Heptane-1,7-diyl bis(4-methylbenzenesulfonate)
TL;DR: Heptane-1,7-diyl bis(4-methylbenzenesulfonate) (CAS 40235-95-8) is a chemical compound with molecular formula C21H28O6S2 and molecular weight 440.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-methylphenyl)sulfonyloxyheptyl 4-methylbenzenesulfonate
Also Known As: heptane-1,7-diyl bis(4-methylbenzenesulfonate), J3.792.369I, 1,7-Heptanediol,1,7-bis(4-methylbenzenesulfonate), 7-(4-methylphenyl)sulfonyloxyheptyl 4-methylbenzenesulfonate, Heptane-1,7-diyl bis(4-methylbenzene-1-sulfonate)
| Molecular Formula | C21H28O6S2 |
|---|---|
| Molecular Weight | 440.13 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 440.13272 |
| Heavy Atoms | 29 |
| Complexity | 588.0 |
Chemical Identifiers
| CAS Number | 40235-95-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCOS(=O)(=O)C2=CC=C(C=C2)C |
| InChIKey | UKHINTOEWWXNAH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heptane-1,7-diyl bis(4-methylbenzenesulfonate) (CAS 40235-95-8), with molecular formula C21H28O6S2 and molecular weight 440.13 g/mol. IUPAC: 7-(4-methylphenyl)sulfonyloxyheptyl 4-methylbenzenesulfonate.
Chemical Property Profile of Heptane-1,7-diyl bis(4-methylbenzenesulfonate)
Property Insights of Heptane-1,7-diyl bis(4-methylbenzenesulfonate)
The XLogP value of 4.9 indicates that Heptane-1,7-diyl bis(4-methylbenzenesulfonate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Heptane-1,7-diyl bis(4-methylbenzenesulfonate). Following Lipinski's Rule of Five, Heptane-1,7-diyl bis(4-methylbenzenesulfonate) has 0 hydrogen bond donor(s) and 6 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 Heptane-1,7-diyl bis(4-methylbenzenesulfonate)?
The CAS number of Heptane-1,7-diyl bis(4-methylbenzenesulfonate) is 40235-95-8.
What is the molecular formula of Heptane-1,7-diyl bis(4-methylbenzenesulfonate)?
The molecular formula of Heptane-1,7-diyl bis(4-methylbenzenesulfonate) is C21H28O6S2.
What is the molecular weight of Heptane-1,7-diyl bis(4-methylbenzenesulfonate)?
The molecular weight of Heptane-1,7-diyl bis(4-methylbenzenesulfonate) is 440.13 g/mol.
Where can I buy Heptane-1,7-diyl bis(4-methylbenzenesulfonate)?
You can request a quote for Heptane-1,7-diyl bis(4-methylbenzenesulfonate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptane-1,7-diyl bis(4-methylbenzenesulfonate)?
Yes, KEHONG BIO provides custom synthesis services for Heptane-1,7-diyl bis(4-methylbenzenesulfonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.