tert-Butyl 2,5-dihydro-1H-pyrrole-1-carboxylate
TL;DR: tert-Butyl 2,5-dihydro-1H-pyrrole-1-carboxylate (CAS 73286-70-1) is a chemical compound with molecular formula C9H15NO2 and molecular weight 169.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2,5-dihydropyrrole-1-carboxylate
Also Known As: tert-Butyl 2,5-dihydro-1H-pyrrole-1-carboxylate, N-BOC-PYRROLINE, N-Boc-3-Pyrroline, N-Boc-2,5-dihydropyrrole, Tert-butyl 2,5-dihydropyrrole-1-carboxylate
| Molecular Formula | C9H15NO2 |
|---|---|
| Molecular Weight | 169.11 g/mol |
| LogP | 1.7933 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 169.11028 |
| Heavy Atoms | 12 |
| Complexity | 195.0643 |
Chemical Identifiers
| CAS Number | 73286-70-1 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CC=CC1 |
Product Overview
tert-Butyl 2,5-dihydro-1H-pyrrole-1-carboxylate (CAS 73286-70-1), with molecular formula C9H15NO2 and molecular weight 169.11 g/mol. IUPAC: tert-butyl 2,5-dihydropyrrole-1-carboxylate.
Chemical Property Profile of tert-Butyl 2,5-dihydro-1H-pyrrole-1-carboxylate
Property Insights of tert-Butyl 2,5-dihydro-1H-pyrrole-1-carboxylate
The XLogP value of 1.7933 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl 2,5-dihydro-1H-pyrrole-1-carboxylate. With a topological polar surface area (TPSA) of 29.54 Ų, tert-Butyl 2,5-dihydro-1H-pyrrole-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl 2,5-dihydro-1H-pyrrole-1-carboxylate has 0 hydrogen bond donor(s) and 2 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 2,5-dihydro-1H-pyrrole-1-carboxylate?
The CAS number of tert-Butyl 2,5-dihydro-1H-pyrrole-1-carboxylate is 73286-70-1.
What is the molecular formula of tert-Butyl 2,5-dihydro-1H-pyrrole-1-carboxylate?
The molecular formula of tert-Butyl 2,5-dihydro-1H-pyrrole-1-carboxylate is C9H15NO2.
What is the molecular weight of tert-Butyl 2,5-dihydro-1H-pyrrole-1-carboxylate?
The molecular weight of tert-Butyl 2,5-dihydro-1H-pyrrole-1-carboxylate is 169.11 g/mol.
Where can I buy tert-Butyl 2,5-dihydro-1H-pyrrole-1-carboxylate?
You can request a quote for tert-Butyl 2,5-dihydro-1H-pyrrole-1-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 2,5-dihydro-1H-pyrrole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl 2,5-dihydro-1H-pyrrole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.