7,7-Bis(benzylsulfanyl)heptane-1,2,3,4,5,6-hexol
TL;DR: 7,7-Bis(benzylsulfanyl)heptane-1,2,3,4,5,6-hexol (CAS 7599-15-7) 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.
7,7-bis(benzylsulfanyl)heptane-1,2,3,4,5,6-hexol
Also Known As: 7,7-bis(benzylsulfanyl)heptane-1,2,3,4,5,6-hexol, 7,7-bis(phenylmethylsulfanyl)heptane-1,2,3,4,5,6-hexol
| Molecular Formula | C21H28O6S2 |
|---|---|
| Molecular Weight | 440.13 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 440.13272 |
| Heavy Atoms | 29 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 7599-15-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC(C(C(C(C(C(CO)O)O)O)O)O)SCC2=CC=CC=C2 |
| InChIKey | NJCIDBPNLIYTGQ-UHFFFAOYSA-N |
Product Overview
7,7-Bis(benzylsulfanyl)heptane-1,2,3,4,5,6-hexol (CAS 7599-15-7), with molecular formula C21H28O6S2 and molecular weight 440.13 g/mol. IUPAC: 7,7-bis(benzylsulfanyl)heptane-1,2,3,4,5,6-hexol.
Chemical Property Profile of 7,7-Bis(benzylsulfanyl)heptane-1,2,3,4,5,6-hexol
Property Insights of 7,7-Bis(benzylsulfanyl)heptane-1,2,3,4,5,6-hexol
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,7-Bis(benzylsulfanyl)heptane-1,2,3,4,5,6-hexol. The TPSA of 172.0 Ų indicates high polarity, suggesting 7,7-Bis(benzylsulfanyl)heptane-1,2,3,4,5,6-hexol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7,7-Bis(benzylsulfanyl)heptane-1,2,3,4,5,6-hexol has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7,7-Bis(benzylsulfanyl)heptane-1,2,3,4,5,6-hexol?
The CAS number of 7,7-Bis(benzylsulfanyl)heptane-1,2,3,4,5,6-hexol is 7599-15-7.
What is the molecular formula of 7,7-Bis(benzylsulfanyl)heptane-1,2,3,4,5,6-hexol?
The molecular formula of 7,7-Bis(benzylsulfanyl)heptane-1,2,3,4,5,6-hexol is C21H28O6S2.
What is the molecular weight of 7,7-Bis(benzylsulfanyl)heptane-1,2,3,4,5,6-hexol?
The molecular weight of 7,7-Bis(benzylsulfanyl)heptane-1,2,3,4,5,6-hexol is 440.13 g/mol.
Where can I buy 7,7-Bis(benzylsulfanyl)heptane-1,2,3,4,5,6-hexol?
You can request a quote for 7,7-Bis(benzylsulfanyl)heptane-1,2,3,4,5,6-hexol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,7-Bis(benzylsulfanyl)heptane-1,2,3,4,5,6-hexol?
Yes, KEHONG BIO provides custom synthesis services for 7,7-Bis(benzylsulfanyl)heptane-1,2,3,4,5,6-hexol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.