4H-Cycloheptapyrimidin-4-one, 3,5,6,7,8,9-hexahydro-2-mercapto-
TL;DR: 4H-Cycloheptapyrimidin-4-one, 3,5,6,7,8,9-hexahydro-2-mercapto- (CAS 34618-56-9) is a chemical compound with molecular formula C9H12N2OS and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-sulfanylidene-1,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
Also Known As: 3,5,6,7,8,9-Hexahydro-2-mercapto-4H-cycloheptapyrimidin-4-one, 4H-CYCLOHEPTAPYRIMIDIN-4-ONE, 3,5,6,7,8,9-HEXAHYDRO-2-MERCAPTO-, 2-sulfanylidene-1,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one, 2-Sulfanylidene-1,2,3,5,6,7,8,9-octahydro-4H-cyclohepta[d]pyrimidin-4-one, RefChem:297487
| Molecular Formula | C9H12N2OS |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 1.70139 |
| Topological Polar Surface Area | 48.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.06703 |
| Heavy Atoms | 13 |
| Complexity | 418.35825 |
Chemical Identifiers
| CAS Number | 34618-56-9 |
|---|---|
| SMILES | C1CCC2=C(CC1)NC(=S)NC2=O |
Product Overview
4H-Cycloheptapyrimidin-4-one, 3,5,6,7,8,9-hexahydro-2-mercapto- (CAS 34618-56-9), with molecular formula C9H12N2OS and molecular weight 196.07 g/mol. IUPAC: 2-sulfanylidene-1,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one.
Chemical Property Profile of 4H-Cycloheptapyrimidin-4-one, 3,5,6,7,8,9-hexahydro-2-mercapto-
Property Insights of 4H-Cycloheptapyrimidin-4-one, 3,5,6,7,8,9-hexahydro-2-mercapto-
The XLogP value of 1.70139 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-Cycloheptapyrimidin-4-one, 3,5,6,7,8,9-hexahydro-2-mercapto-. With a topological polar surface area (TPSA) of 48.65 Ų, 4H-Cycloheptapyrimidin-4-one, 3,5,6,7,8,9-hexahydro-2-mercapto- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-Cycloheptapyrimidin-4-one, 3,5,6,7,8,9-hexahydro-2-mercapto- has 2 hydrogen bond donor(s) and 2 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 4H-Cycloheptapyrimidin-4-one, 3,5,6,7,8,9-hexahydro-2-mercapto-?
The CAS number of 4H-Cycloheptapyrimidin-4-one, 3,5,6,7,8,9-hexahydro-2-mercapto- is 34618-56-9.
What is the molecular formula of 4H-Cycloheptapyrimidin-4-one, 3,5,6,7,8,9-hexahydro-2-mercapto-?
The molecular formula of 4H-Cycloheptapyrimidin-4-one, 3,5,6,7,8,9-hexahydro-2-mercapto- is C9H12N2OS.
What is the molecular weight of 4H-Cycloheptapyrimidin-4-one, 3,5,6,7,8,9-hexahydro-2-mercapto-?
The molecular weight of 4H-Cycloheptapyrimidin-4-one, 3,5,6,7,8,9-hexahydro-2-mercapto- is 196.07 g/mol.
Where can I buy 4H-Cycloheptapyrimidin-4-one, 3,5,6,7,8,9-hexahydro-2-mercapto-?
You can request a quote for 4H-Cycloheptapyrimidin-4-one, 3,5,6,7,8,9-hexahydro-2-mercapto- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-Cycloheptapyrimidin-4-one, 3,5,6,7,8,9-hexahydro-2-mercapto-?
Yes, KEHONG BIO provides custom synthesis services for 4H-Cycloheptapyrimidin-4-one, 3,5,6,7,8,9-hexahydro-2-mercapto- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.