(heptafluoropropan-2-yl)benzene
TL;DR: (heptafluoropropan-2-yl)benzene (CAS 6337-76-4) is a chemical compound with molecular formula C10H19N2O4PS3 and molecular weight 358.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethoxy-[[5-(2-methoxyethoxy)-1,3,4-thiadiazol-2-yl]methylsulfanyl]-sulfanylidene-λ5-phosphane
Also Known As: (heptafluoropropan-2-yl)benzene, 1,1,1,2,3,3,3-heptafluoropropan-2-ylbenzene, Phosphorodithioic acid, O,O-diethyl S-((5-(2-methoxyethoxy)-1,3,4-thiadiazol-2-yl)methyl) ester, o,o-diethyl s-{[5-(2-methoxyethoxy)-1,3,4-thiadiazol-2-yl]methyl} phosphorodithioate, diethoxy-[[5-(2-methoxyethoxy)-1,3,4-thiadiazol-2-yl]methylsulfanyl]-sulfanylidene-
| Molecular Formula | C10H19N2O4PS3 |
|---|---|
| Molecular Weight | 358.02 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 358.02444 |
| Heavy Atoms | 20 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 6337-76-4 |
|---|---|
| SMILES | CCOP(=S)(OCC)SCC1=NN=C(S1)OCCOC |
| InChIKey | JBBRGQBLAQEHGB-UHFFFAOYSA-N |
Product Overview
(heptafluoropropan-2-yl)benzene (CAS 6337-76-4), with molecular formula C10H19N2O4PS3 and molecular weight 358.02 g/mol. IUPAC: diethoxy-[[5-(2-methoxyethoxy)-1,3,4-thiadiazol-2-yl]methylsulfanyl]-sulfanylidene-λ5-phosphane.
Chemical Property Profile of (heptafluoropropan-2-yl)benzene
Property Insights of (heptafluoropropan-2-yl)benzene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (heptafluoropropan-2-yl)benzene. The TPSA of 148.0 Ų indicates high polarity, suggesting (heptafluoropropan-2-yl)benzene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (heptafluoropropan-2-yl)benzene has 0 hydrogen bond donor(s) and 9 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 (heptafluoropropan-2-yl)benzene?
The CAS number of (heptafluoropropan-2-yl)benzene is 6337-76-4.
What is the molecular formula of (heptafluoropropan-2-yl)benzene?
The molecular formula of (heptafluoropropan-2-yl)benzene is C10H19N2O4PS3.
What is the molecular weight of (heptafluoropropan-2-yl)benzene?
The molecular weight of (heptafluoropropan-2-yl)benzene is 358.02 g/mol.
Where can I buy (heptafluoropropan-2-yl)benzene?
You can request a quote for (heptafluoropropan-2-yl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (heptafluoropropan-2-yl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (heptafluoropropan-2-yl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.