Benzyl 3-pyrroline-1-carboxylate
TL;DR: Benzyl 3-pyrroline-1-carboxylate (CAS 31970-04-4) is a chemical compound with molecular formula C12H13NO2 and molecular weight 203.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2,5-dihydropyrrole-1-carboxylate
Also Known As: benzyl 2,5-dihydro-1H-pyrrole-1-carboxylate, Benzyl 3-pyrroline-1-carboxylate, 1-Cbz-2,5-dihydro-1H-pyrrole, N-CBZ-3-PYRROLINE, N-Cbz-2,5-dihydropyrrole
| Molecular Formula | C12H13NO2 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.09464 |
| Heavy Atoms | 15 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 31970-04-4 |
|---|---|
| SMILES | C1C=CCN1C(=O)OCC2=CC=CC=C2 |
| InChIKey | XSKKIFJNZPNVGO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl 3-pyrroline-1-carboxylate (CAS 31970-04-4), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: benzyl 2,5-dihydropyrrole-1-carboxylate.
Chemical Property Profile of Benzyl 3-pyrroline-1-carboxylate
Property Insights of Benzyl 3-pyrroline-1-carboxylate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 3-pyrroline-1-carboxylate. With a topological polar surface area (TPSA) of 29.5 Ų, Benzyl 3-pyrroline-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 3-pyrroline-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 Benzyl 3-pyrroline-1-carboxylate?
The CAS number of Benzyl 3-pyrroline-1-carboxylate is 31970-04-4.
What is the molecular formula of Benzyl 3-pyrroline-1-carboxylate?
The molecular formula of Benzyl 3-pyrroline-1-carboxylate is C12H13NO2.
What is the molecular weight of Benzyl 3-pyrroline-1-carboxylate?
The molecular weight of Benzyl 3-pyrroline-1-carboxylate is 203.09 g/mol.
Where can I buy Benzyl 3-pyrroline-1-carboxylate?
You can request a quote for Benzyl 3-pyrroline-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 3-pyrroline-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 3-pyrroline-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.