Tert-butyl octahydropyrrolo(3,4-c)pyrrole-2-carboxylate
TL;DR: Tert-butyl octahydropyrrolo(3,4-c)pyrrole-2-carboxylate (CAS 1251019-97-2) is a chemical compound with molecular formula C11H20N2O2 and molecular weight 212.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
Also Known As: 2-BOC-Hexahydropyrrolo[3,4-c]pyrrole, 2-Boc-Hexahydro-pyrrolo[3,4-C]pyrrole, tert-butyl hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate, cis-2-Boc-hexahydropyrrolo[3,4-c]pyrrole, tert-butyl hexahydropyrrolo[3
| Molecular Formula | C11H20N2O2 |
|---|---|
| Molecular Weight | 212.15 g/mol |
| LogP | 1.0727 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 212.15248 |
| Heavy Atoms | 15 |
| Complexity | 247.80376 |
Chemical Identifiers
| CAS Number | 1251019-97-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CC2CNCC2C1 |
Product Overview
Tert-butyl octahydropyrrolo(3,4-c)pyrrole-2-carboxylate (CAS 1251019-97-2), with molecular formula C11H20N2O2 and molecular weight 212.15 g/mol. IUPAC: tert-butyl 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate.
Chemical Property Profile of Tert-butyl octahydropyrrolo(3,4-c)pyrrole-2-carboxylate
Property Insights of Tert-butyl octahydropyrrolo(3,4-c)pyrrole-2-carboxylate
The XLogP value of 1.0727 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl octahydropyrrolo(3,4-c)pyrrole-2-carboxylate. With a topological polar surface area (TPSA) of 41.57 Ų, Tert-butyl octahydropyrrolo(3,4-c)pyrrole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl octahydropyrrolo(3,4-c)pyrrole-2-carboxylate has 1 hydrogen bond donor(s) and 3 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 Tert-butyl octahydropyrrolo(3,4-c)pyrrole-2-carboxylate?
The CAS number of Tert-butyl octahydropyrrolo(3,4-c)pyrrole-2-carboxylate is 1251019-97-2.
What is the molecular formula of Tert-butyl octahydropyrrolo(3,4-c)pyrrole-2-carboxylate?
The molecular formula of Tert-butyl octahydropyrrolo(3,4-c)pyrrole-2-carboxylate is C11H20N2O2.
What is the molecular weight of Tert-butyl octahydropyrrolo(3,4-c)pyrrole-2-carboxylate?
The molecular weight of Tert-butyl octahydropyrrolo(3,4-c)pyrrole-2-carboxylate is 212.15 g/mol.
Where can I buy Tert-butyl octahydropyrrolo(3,4-c)pyrrole-2-carboxylate?
You can request a quote for Tert-butyl octahydropyrrolo(3,4-c)pyrrole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl octahydropyrrolo(3,4-c)pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl octahydropyrrolo(3,4-c)pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.