1-formyl-1,2-oxido-4-cyclohexene
TL;DR: 1-formyl-1,2-oxido-4-cyclohexene (CAS 75963-64-3) is a chemical compound with molecular formula C22H20O8 and molecular weight 412.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,14,17-trihydroxy-7,18-dimethoxy-18-methyl-19-oxapentacyclo[15.2.1.02,15.04,13.06,11]icosa-2(15),3,6(11),7,9,13-hexaene-5,12-dione
Also Known As: 1-formyl-1,2-oxido-4-cyclohexene, trihydroxy-dimethoxy-methyl-[?]dione, 1,4-Methanoanthra(2,3-c)oxepin-7,12-dione, 1,3,4,5-tetrahydro-4,6,13-trihydroxy-3,11-dimethoxy-3-methyl-, 1,4-Methanoanthra[2,3-c]oxepin-7,12-dione, 1,3,4,5-tetrahydro-4,6,13-trihydroxy-3,11-dimethoxy-3-methyl-, 1,4-Methanoanthra[2,3-c]oxepin-7,12-dione,1,3,4,5-tetrahydro-4,6,13-trihydroxy-3,11-dimethoxy-3-methyl-
| Molecular Formula | C22H20O8 |
|---|---|
| Molecular Weight | 412.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 412.1158 |
| Heavy Atoms | 30 |
| Complexity | 755.0 |
Chemical Identifiers
| CAS Number | 75963-64-3 |
|---|---|
| SMILES | CC1(C2(CC(O1)C3=C(C2)C(=C4C(=C3O)C(=O)C5=C(C4=O)C=CC=C5OC)O)O)OC |
| InChIKey | MUMBPBZURIYBJJ-UHFFFAOYSA-N |
Product Overview
1-formyl-1,2-oxido-4-cyclohexene (CAS 75963-64-3), with molecular formula C22H20O8 and molecular weight 412.12 g/mol. IUPAC: 3,14,17-trihydroxy-7,18-dimethoxy-18-methyl-19-oxapentacyclo[15.2.1.02,15.04,13.06,11]icosa-2(15),3,6(11),7,9,13-hexaene-5,12-dione.
Chemical Property Profile of 1-formyl-1,2-oxido-4-cyclohexene
Property Insights of 1-formyl-1,2-oxido-4-cyclohexene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-formyl-1,2-oxido-4-cyclohexene. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-formyl-1,2-oxido-4-cyclohexene. Following Lipinski's Rule of Five, 1-formyl-1,2-oxido-4-cyclohexene has 3 hydrogen bond donor(s) and 8 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 1-formyl-1,2-oxido-4-cyclohexene?
The CAS number of 1-formyl-1,2-oxido-4-cyclohexene is 75963-64-3.
What is the molecular formula of 1-formyl-1,2-oxido-4-cyclohexene?
The molecular formula of 1-formyl-1,2-oxido-4-cyclohexene is C22H20O8.
What is the molecular weight of 1-formyl-1,2-oxido-4-cyclohexene?
The molecular weight of 1-formyl-1,2-oxido-4-cyclohexene is 412.12 g/mol.
Where can I buy 1-formyl-1,2-oxido-4-cyclohexene?
You can request a quote for 1-formyl-1,2-oxido-4-cyclohexene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-formyl-1,2-oxido-4-cyclohexene?
Yes, KEHONG BIO provides custom synthesis services for 1-formyl-1,2-oxido-4-cyclohexene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.