3-(Benzyloxy)pyrrolidine-1-carbonitrile
TL;DR: 3-(Benzyloxy)pyrrolidine-1-carbonitrile (CAS 367906-57-8) is a chemical compound with molecular formula C12H14N2O and molecular weight 202.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylmethoxypyrrolidine-1-carbonitrile
Also Known As: 3-(benzyloxy)pyrrolidine-1-carbonitrile, 3-phenylmethoxypyrrolidine-1-carbonitrile
| Molecular Formula | C12H14N2O |
|---|---|
| Molecular Weight | 202.11 g/mol |
| LogP | 1.75858 |
| Topological Polar Surface Area | 36.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.11061 |
| Heavy Atoms | 15 |
| Complexity | 344.3898 |
Chemical Identifiers
| CAS Number | 367906-57-8 |
|---|---|
| SMILES | C1CN(CC1OCC2=CC=CC=C2)C#N |
Product Overview
3-(Benzyloxy)pyrrolidine-1-carbonitrile (CAS 367906-57-8), with molecular formula C12H14N2O and molecular weight 202.11 g/mol. IUPAC: 3-phenylmethoxypyrrolidine-1-carbonitrile.
Chemical Property Profile of 3-(Benzyloxy)pyrrolidine-1-carbonitrile
Property Insights of 3-(Benzyloxy)pyrrolidine-1-carbonitrile
The XLogP value of 1.75858 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Benzyloxy)pyrrolidine-1-carbonitrile. With a topological polar surface area (TPSA) of 36.26 Ų, 3-(Benzyloxy)pyrrolidine-1-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Benzyloxy)pyrrolidine-1-carbonitrile 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 3-(Benzyloxy)pyrrolidine-1-carbonitrile?
The CAS number of 3-(Benzyloxy)pyrrolidine-1-carbonitrile is 367906-57-8.
What is the molecular formula of 3-(Benzyloxy)pyrrolidine-1-carbonitrile?
The molecular formula of 3-(Benzyloxy)pyrrolidine-1-carbonitrile is C12H14N2O.
What is the molecular weight of 3-(Benzyloxy)pyrrolidine-1-carbonitrile?
The molecular weight of 3-(Benzyloxy)pyrrolidine-1-carbonitrile is 202.11 g/mol.
Where can I buy 3-(Benzyloxy)pyrrolidine-1-carbonitrile?
You can request a quote for 3-(Benzyloxy)pyrrolidine-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Benzyloxy)pyrrolidine-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Benzyloxy)pyrrolidine-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.