1-Boc-3-cyanopyrrolidine
TL;DR: 1-Boc-3-cyanopyrrolidine (CAS 1187930-86-4) is a chemical compound with molecular formula C10H16N2O2 and molecular weight 196.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 3-cyanopyrrolidine-1-carboxylate
Also Known As: 1-N-Boc-3-Cyanopyrrolidine, n-boc-3-cyanopyrrolidine, tert-butyl 3-cyanopyrrolidine-1-carboxylate, 1-boc-3-cyanopyrrolidine, 1-boc-3-cyano-pyrrolidine
| Molecular Formula | C10H16N2O2 |
|---|---|
| Molecular Weight | 196.12 g/mol |
| LogP | 1.76698 |
| Topological Polar Surface Area | 53.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.12119 |
| Heavy Atoms | 14 |
| Complexity | 262.276 |
Chemical Identifiers
| CAS Number | 1187930-86-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCC(C1)C#N |
Product Overview
1-Boc-3-cyanopyrrolidine (CAS 1187930-86-4), with molecular formula C10H16N2O2 and molecular weight 196.12 g/mol. IUPAC: tert-butyl 3-cyanopyrrolidine-1-carboxylate.
Chemical Property Profile of 1-Boc-3-cyanopyrrolidine
Property Insights of 1-Boc-3-cyanopyrrolidine
The XLogP value of 1.76698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Boc-3-cyanopyrrolidine. With a topological polar surface area (TPSA) of 53.33 Ų, 1-Boc-3-cyanopyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Boc-3-cyanopyrrolidine has 0 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 1-Boc-3-cyanopyrrolidine?
The CAS number of 1-Boc-3-cyanopyrrolidine is 1187930-86-4.
What is the molecular formula of 1-Boc-3-cyanopyrrolidine?
The molecular formula of 1-Boc-3-cyanopyrrolidine is C10H16N2O2.
What is the molecular weight of 1-Boc-3-cyanopyrrolidine?
The molecular weight of 1-Boc-3-cyanopyrrolidine is 196.12 g/mol.
Where can I buy 1-Boc-3-cyanopyrrolidine?
You can request a quote for 1-Boc-3-cyanopyrrolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Boc-3-cyanopyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for 1-Boc-3-cyanopyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.