diethyl 4,9-dihydroxy-3a,8a-dimethyl-3,4,8,9-tetrahydrodipyr
TL;DR: diethyl 4,9-dihydroxy-3a,8a-dimethyl-3,4,8,9-tetrahydrodipyr (CAS 60323-59-3) is a chemical compound with molecular formula C16H24N4O6 and molecular weight 368.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,8-dihydroxy-3,9-dimethyl-1,6,7,12-tetrazatricyclo[7.3.0.03,7]dodeca-5,11-diene-5,11-dicarboxylate
Also Known As: diethyl 4,9-dihydroxy-3a,8a-dimethyl-3,4,8,9-tetrahydrodipyr, 3H,8H-Dipyrazolo[1,5-a:1',5'-d]pyrazine-2,7-dicarboxylic acid, 3a,4,8a,9-tetrahydro-4,9-dihydroxy-3a,8a-dimethyl-, diethyl ester, (3a.alpha.,4.beta.,8a.beta.,9.alpha.)-, 3H,5-a:1',5'-d]pyrazine-2,7-dicarboxylic acid, 3a,4,8a,9-tetrahydro-4,9-dihydroxy-3a,8a-dimethyl-, diethyl ester, (3a.alpha.,4.beta.,8a.beta.,9.alpha.)-, 3H,8H-Dipyrazolo[1,5-a:1',5'-d]pyrazine-2,7-dicarboxylic acid, 3a,4,8a,9-tetrahydro-4,9-dihydroxy-3a,8a-dimethyl-, diethyl ester, (3aalpha,4beta,8abeta,9alpha)-, Diethyl 4,9-dihydroxy-3a,8a-dimethyl-3a,4,8a,9-tetrahydro-3H,8H-dipyrazolo[1,5-a:1',5'-d]pyrazine-2,7-dicarboxylate
| Molecular Formula | C16H24N4O6 |
|---|---|
| Molecular Weight | 368.17 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.1696 |
| Heavy Atoms | 26 |
| Complexity | 636.0 |
Chemical Identifiers
| CAS Number | 60323-59-3 |
|---|---|
| SMILES | CCOC(=O)C1=NN2C(C3(CC(=NN3C(C2(C1)C)O)C(=O)OCC)C)O |
| InChIKey | DGBPJSJWNZQGQU-UHFFFAOYSA-N |
Product Overview
diethyl 4,9-dihydroxy-3a,8a-dimethyl-3,4,8,9-tetrahydrodipyr (CAS 60323-59-3), with molecular formula C16H24N4O6 and molecular weight 368.17 g/mol. IUPAC: diethyl 2,8-dihydroxy-3,9-dimethyl-1,6,7,12-tetrazatricyclo[7.3.0.03,7]dodeca-5,11-diene-5,11-dicarboxylate.
Chemical Property Profile of diethyl 4,9-dihydroxy-3a,8a-dimethyl-3,4,8,9-tetrahydrodipyr
Property Insights of diethyl 4,9-dihydroxy-3a,8a-dimethyl-3,4,8,9-tetrahydrodipyr
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl 4,9-dihydroxy-3a,8a-dimethyl-3,4,8,9-tetrahydrodipyr. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 4,9-dihydroxy-3a,8a-dimethyl-3,4,8,9-tetrahydrodipyr. Following Lipinski's Rule of Five, diethyl 4,9-dihydroxy-3a,8a-dimethyl-3,4,8,9-tetrahydrodipyr has 2 hydrogen bond donor(s) and 10 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 diethyl 4,9-dihydroxy-3a,8a-dimethyl-3,4,8,9-tetrahydrodipyr?
The CAS number of diethyl 4,9-dihydroxy-3a,8a-dimethyl-3,4,8,9-tetrahydrodipyr is 60323-59-3.
What is the molecular formula of diethyl 4,9-dihydroxy-3a,8a-dimethyl-3,4,8,9-tetrahydrodipyr?
The molecular formula of diethyl 4,9-dihydroxy-3a,8a-dimethyl-3,4,8,9-tetrahydrodipyr is C16H24N4O6.
What is the molecular weight of diethyl 4,9-dihydroxy-3a,8a-dimethyl-3,4,8,9-tetrahydrodipyr?
The molecular weight of diethyl 4,9-dihydroxy-3a,8a-dimethyl-3,4,8,9-tetrahydrodipyr is 368.17 g/mol.
Where can I buy diethyl 4,9-dihydroxy-3a,8a-dimethyl-3,4,8,9-tetrahydrodipyr?
You can request a quote for diethyl 4,9-dihydroxy-3a,8a-dimethyl-3,4,8,9-tetrahydrodipyr directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 4,9-dihydroxy-3a,8a-dimethyl-3,4,8,9-tetrahydrodipyr?
Yes, KEHONG BIO provides custom synthesis services for diethyl 4,9-dihydroxy-3a,8a-dimethyl-3,4,8,9-tetrahydrodipyr and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.