Cycloheptanone, 2,2-dimethyl-
TL;DR: Cycloheptanone, 2,2-dimethyl- (CAS 7228-52-6) is a chemical compound with molecular formula C12H14N4O2S and molecular weight 278.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-3-(5-amino-4-cyano-3-methylfuran-2-yl)-3-methyl-2H-furan-4-carbothioamide
Also Known As: Cycloheptanone, 2,2-dimethyl-, 5-amino-3-(5-amino-4-cyano-3-methylfuran-2-yl)-3-methyl-2H-furan-4-carbothioamide, 2-amino-4-(5-amino-4-cyano-3-methyl-2-furyl)-4-methyl-5H-furan-3-carbothioamide, 5,5'-Diamino-4-cyano-3,3'-dimethyl-2',3'-dihydro[2,3'-bifuran]-4'-carbothioamide, RefChem:301005
| Molecular Formula | C12H14N4O2S |
|---|---|
| Molecular Weight | 278.08 g/mol |
| LogP | 0.7862 |
| Topological Polar Surface Area | 124.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.08374 |
| Heavy Atoms | 19 |
| Complexity | 640.88995 |
Chemical Identifiers
| CAS Number | 7228-52-6 |
|---|---|
| SMILES | CC1=C(OC(=C1C#N)N)C2(COC(=C2C(=S)N)N)C |
Product Overview
Cycloheptanone, 2,2-dimethyl- (CAS 7228-52-6), with molecular formula C12H14N4O2S and molecular weight 278.08 g/mol. IUPAC: 5-amino-3-(5-amino-4-cyano-3-methylfuran-2-yl)-3-methyl-2H-furan-4-carbothioamide.
Chemical Property Profile of Cycloheptanone, 2,2-dimethyl-
Property Insights of Cycloheptanone, 2,2-dimethyl-
The XLogP value of 0.7862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cycloheptanone, 2,2-dimethyl-. The TPSA of 124.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Cycloheptanone, 2,2-dimethyl-. Following Lipinski's Rule of Five, Cycloheptanone, 2,2-dimethyl- has 3 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 Cycloheptanone, 2,2-dimethyl-?
The CAS number of Cycloheptanone, 2,2-dimethyl- is 7228-52-6.
What is the molecular formula of Cycloheptanone, 2,2-dimethyl-?
The molecular formula of Cycloheptanone, 2,2-dimethyl- is C12H14N4O2S.
What is the molecular weight of Cycloheptanone, 2,2-dimethyl-?
The molecular weight of Cycloheptanone, 2,2-dimethyl- is 278.08 g/mol.
Where can I buy Cycloheptanone, 2,2-dimethyl-?
You can request a quote for Cycloheptanone, 2,2-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cycloheptanone, 2,2-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Cycloheptanone, 2,2-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.