Cyclohexane-1,2-dione, hemihydrate
TL;DR: Cyclohexane-1,2-dione, hemihydrate (CAS 33832-15-4) is a chemical compound with molecular formula C12H18O5 and molecular weight 242.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,9,15-trioxatetracyclo[6.6.1.01,10.03,8]pentadecane-3,10-diol
Also Known As: Cyclohexane-1,2-dione, hemihydrate, EINECS 251-691-2, Perhydro-4a,9a-epoxydibenzo-p-dioxin-5a,10a-diol, octahydro-5ah,10ah-4a,9a-epoxyoxanthrene-5a,10a-diol, (4aalpha,5abeta,9aalpha,10abeta)-Octahydro-5aH,10aH-4a,9a-epoxydibenzo(b,e)(1,4)dioxin-5a,10a-diol
| Molecular Formula | C12H18O5 |
|---|---|
| Molecular Weight | 242.12 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 242.11542 |
| Heavy Atoms | 17 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 33832-15-4 |
|---|---|
| SMILES | C1CCC23C(C1)(OC4(O2)CCCCC4(O3)O)O |
| InChIKey | IODJLIUJWUFTIH-UHFFFAOYSA-N |
Product Overview
Cyclohexane-1,2-dione, hemihydrate (CAS 33832-15-4), with molecular formula C12H18O5 and molecular weight 242.12 g/mol. IUPAC: 2,9,15-trioxatetracyclo[6.6.1.01,10.03,8]pentadecane-3,10-diol.
Chemical Property Profile of Cyclohexane-1,2-dione, hemihydrate
Property Insights of Cyclohexane-1,2-dione, hemihydrate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexane-1,2-dione, hemihydrate. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclohexane-1,2-dione, hemihydrate. Following Lipinski's Rule of Five, Cyclohexane-1,2-dione, hemihydrate has 2 hydrogen bond donor(s) and 5 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 Cyclohexane-1,2-dione, hemihydrate?
The CAS number of Cyclohexane-1,2-dione, hemihydrate is 33832-15-4.
What is the molecular formula of Cyclohexane-1,2-dione, hemihydrate?
The molecular formula of Cyclohexane-1,2-dione, hemihydrate is C12H18O5.
What is the molecular weight of Cyclohexane-1,2-dione, hemihydrate?
The molecular weight of Cyclohexane-1,2-dione, hemihydrate is 242.12 g/mol.
Where can I buy Cyclohexane-1,2-dione, hemihydrate?
You can request a quote for Cyclohexane-1,2-dione, hemihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexane-1,2-dione, hemihydrate?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexane-1,2-dione, hemihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.