(3S,4S)-1-benzylpyrrolidine-3,4-dicarbonitrile
TL;DR: (3S,4S)-1-benzylpyrrolidine-3,4-dicarbonitrile (CAS 87813-02-3) is a chemical compound with molecular formula C13H13N3 and molecular weight 211.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4S)-1-benzylpyrrolidine-3,4-dicarbonitrile
Also Known As: (3S,4S)-1-benzylpyrrolidine-3,4-dicarbonitrile, 3,4-Pyrrolidinedicarbonitrile, 1-(phenylmethyl)-, trans-
| Molecular Formula | C13H13N3 |
|---|---|
| Molecular Weight | 211.11 g/mol |
| LogP | 1.78176 |
| Topological Polar Surface Area | 50.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.11095 |
| Heavy Atoms | 16 |
| Complexity | 404.7312 |
Chemical Identifiers
| CAS Number | 87813-02-3 |
|---|---|
| SMILES | C1[C@H]([C@@H](CN1CC2=CC=CC=C2)C#N)C#N |
Product Overview
(3S,4S)-1-benzylpyrrolidine-3,4-dicarbonitrile (CAS 87813-02-3), with molecular formula C13H13N3 and molecular weight 211.11 g/mol. IUPAC: (3S,4S)-1-benzylpyrrolidine-3,4-dicarbonitrile.
Chemical Property Profile of (3S,4S)-1-benzylpyrrolidine-3,4-dicarbonitrile
Property Insights of (3S,4S)-1-benzylpyrrolidine-3,4-dicarbonitrile
The XLogP value of 1.78176 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S,4S)-1-benzylpyrrolidine-3,4-dicarbonitrile. With a topological polar surface area (TPSA) of 50.82 Ų, (3S,4S)-1-benzylpyrrolidine-3,4-dicarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S,4S)-1-benzylpyrrolidine-3,4-dicarbonitrile 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 (3S,4S)-1-benzylpyrrolidine-3,4-dicarbonitrile?
The CAS number of (3S,4S)-1-benzylpyrrolidine-3,4-dicarbonitrile is 87813-02-3.
What is the molecular formula of (3S,4S)-1-benzylpyrrolidine-3,4-dicarbonitrile?
The molecular formula of (3S,4S)-1-benzylpyrrolidine-3,4-dicarbonitrile is C13H13N3.
What is the molecular weight of (3S,4S)-1-benzylpyrrolidine-3,4-dicarbonitrile?
The molecular weight of (3S,4S)-1-benzylpyrrolidine-3,4-dicarbonitrile is 211.11 g/mol.
Where can I buy (3S,4S)-1-benzylpyrrolidine-3,4-dicarbonitrile?
You can request a quote for (3S,4S)-1-benzylpyrrolidine-3,4-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S,4S)-1-benzylpyrrolidine-3,4-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (3S,4S)-1-benzylpyrrolidine-3,4-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.