5-tert-Butyl 1-ethyl 3-amino-4,6-dihydropyrrolo(3,4-c)pyrazole-1,5-dicarboxylate
TL;DR: 5-tert-Butyl 1-ethyl 3-amino-4,6-dihydropyrrolo(3,4-c)pyrazole-1,5-dicarboxylate (CAS 398495-65-3) is a chemical compound with molecular formula C13H20N4O4 and molecular weight 296.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-O-tert-butyl 1-O-ethyl 3-amino-4,6-dihydropyrrolo[3,4-d]pyrazole-1,5-dicarboxylate
Also Known As: 5-tert-Butyl 1-ethyl 3-aminopyrrolo[3,4-c]pyrazole-1,5(4H,6H)-dicarboxylate, 1-ETHYLOXYCARBONYL-5-BOC-3-AMINO-4,6-DIHYDRO-PYRROLO[3,4-C]PYRAZOLE, 5-Boc-3-amino-4,6-dihydropyrrolo[3,4-c]pyrazole-1-carboxylic acid ethyl ester, 4-(2-HYDROXYETHOXY)BENZOICACIDMETHYLESTER, 5-O-tert-butyl 1-O-ethyl 3-amino-4,6-dihydropyrrolo[3,4-c]pyrazole-1,5-dicarboxylate
| Molecular Formula | C13H20N4O4 |
|---|---|
| Molecular Weight | 296.15 g/mol |
| LogP | 1.7206 |
| Topological Polar Surface Area | 99.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 296.14847 |
| Heavy Atoms | 21 |
| Complexity | 573.4618 |
Chemical Identifiers
| CAS Number | 398495-65-3 |
|---|---|
| SMILES | CCOC(=O)N1C2=C(CN(C2)C(=O)OC(C)(C)C)C(=N1)N |
Product Overview
5-tert-Butyl 1-ethyl 3-amino-4,6-dihydropyrrolo(3,4-c)pyrazole-1,5-dicarboxylate (CAS 398495-65-3), with molecular formula C13H20N4O4 and molecular weight 296.15 g/mol. IUPAC: 5-O-tert-butyl 1-O-ethyl 3-amino-4,6-dihydropyrrolo[3,4-d]pyrazole-1,5-dicarboxylate.
Chemical Property Profile of 5-tert-Butyl 1-ethyl 3-amino-4,6-dihydropyrrolo(3,4-c)pyrazole-1,5-dicarboxylate
Property Insights of 5-tert-Butyl 1-ethyl 3-amino-4,6-dihydropyrrolo(3,4-c)pyrazole-1,5-dicarboxylate
The XLogP value of 1.7206 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-tert-Butyl 1-ethyl 3-amino-4,6-dihydropyrrolo(3,4-c)pyrazole-1,5-dicarboxylate. The TPSA of 99.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-tert-Butyl 1-ethyl 3-amino-4,6-dihydropyrrolo(3,4-c)pyrazole-1,5-dicarboxylate. Following Lipinski's Rule of Five, 5-tert-Butyl 1-ethyl 3-amino-4,6-dihydropyrrolo(3,4-c)pyrazole-1,5-dicarboxylate has 1 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 5-tert-Butyl 1-ethyl 3-amino-4,6-dihydropyrrolo(3,4-c)pyrazole-1,5-dicarboxylate?
The CAS number of 5-tert-Butyl 1-ethyl 3-amino-4,6-dihydropyrrolo(3,4-c)pyrazole-1,5-dicarboxylate is 398495-65-3.
What is the molecular formula of 5-tert-Butyl 1-ethyl 3-amino-4,6-dihydropyrrolo(3,4-c)pyrazole-1,5-dicarboxylate?
The molecular formula of 5-tert-Butyl 1-ethyl 3-amino-4,6-dihydropyrrolo(3,4-c)pyrazole-1,5-dicarboxylate is C13H20N4O4.
What is the molecular weight of 5-tert-Butyl 1-ethyl 3-amino-4,6-dihydropyrrolo(3,4-c)pyrazole-1,5-dicarboxylate?
The molecular weight of 5-tert-Butyl 1-ethyl 3-amino-4,6-dihydropyrrolo(3,4-c)pyrazole-1,5-dicarboxylate is 296.15 g/mol.
Where can I buy 5-tert-Butyl 1-ethyl 3-amino-4,6-dihydropyrrolo(3,4-c)pyrazole-1,5-dicarboxylate?
You can request a quote for 5-tert-Butyl 1-ethyl 3-amino-4,6-dihydropyrrolo(3,4-c)pyrazole-1,5-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-tert-Butyl 1-ethyl 3-amino-4,6-dihydropyrrolo(3,4-c)pyrazole-1,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 5-tert-Butyl 1-ethyl 3-amino-4,6-dihydropyrrolo(3,4-c)pyrazole-1,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.