cis-N-(Cyclohexylthio)hexahydrophthalimide
TL;DR: cis-N-(Cyclohexylthio)hexahydrophthalimide (CAS 68310-85-0) is a chemical compound with molecular formula C14H21NO2S and molecular weight 267.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyclohexylsulfanyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
Also Known As: cis-N-(Cyclohexylthio)hexahydrophthalimide, 2-(cyclohexylsulfanyl)hexahydro-1h-isoindole-1,3(2h)-dione, 1H-Isoindole-1,3(2H)-dione, 2-(cyclohexylthio)hexahydro-, (3aR,7aS)-rel-, 1H-Isoindole-1,3(2H)-dione, 2-(cyclohexylthio)hexahydro-, cis-, 2-cyclohexylsulfanyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
| Molecular Formula | C14H21NO2S |
|---|---|
| Molecular Weight | 267.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.1293 |
| Heavy Atoms | 18 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 68310-85-0 |
|---|---|
| SMILES | C1CCC(CC1)SN2C(=O)C3CCCCC3C2=O |
| InChIKey | YFQKGNTXACFMOY-UHFFFAOYSA-N |
Product Overview
cis-N-(Cyclohexylthio)hexahydrophthalimide (CAS 68310-85-0), with molecular formula C14H21NO2S and molecular weight 267.13 g/mol. IUPAC: 2-cyclohexylsulfanyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.
Chemical Property Profile of cis-N-(Cyclohexylthio)hexahydrophthalimide
Property Insights of cis-N-(Cyclohexylthio)hexahydrophthalimide
The XLogP value of 3.0 indicates that cis-N-(Cyclohexylthio)hexahydrophthalimide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for cis-N-(Cyclohexylthio)hexahydrophthalimide. Following Lipinski's Rule of Five, cis-N-(Cyclohexylthio)hexahydrophthalimide has 0 hydrogen bond donor(s) and 3 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 cis-N-(Cyclohexylthio)hexahydrophthalimide?
The CAS number of cis-N-(Cyclohexylthio)hexahydrophthalimide is 68310-85-0.
What is the molecular formula of cis-N-(Cyclohexylthio)hexahydrophthalimide?
The molecular formula of cis-N-(Cyclohexylthio)hexahydrophthalimide is C14H21NO2S.
What is the molecular weight of cis-N-(Cyclohexylthio)hexahydrophthalimide?
The molecular weight of cis-N-(Cyclohexylthio)hexahydrophthalimide is 267.13 g/mol.
Where can I buy cis-N-(Cyclohexylthio)hexahydrophthalimide?
You can request a quote for cis-N-(Cyclohexylthio)hexahydrophthalimide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-N-(Cyclohexylthio)hexahydrophthalimide?
Yes, KEHONG BIO provides custom synthesis services for cis-N-(Cyclohexylthio)hexahydrophthalimide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.