1-(3,3-Dichloro-1-phenylallyl)pyrrolidine
TL;DR: 1-(3,3-Dichloro-1-phenylallyl)pyrrolidine (CAS 459187-70-3) is a chemical compound with molecular formula C13H15Cl2N and molecular weight 255.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,3-dichloro-1-phenylprop-2-enyl)pyrrolidine
Also Known As: 1-(3,3-dichloro-1-phenylallyl)pyrrolidine, 1-(3,3-dichloro-1-phenylprop-2-enyl)pyrrolidine, 1-(3,3-dichloro-1-phenyl-prop-2-enyl)pyrrolidine
| Molecular Formula | C13H15Cl2N |
|---|---|
| Molecular Weight | 255.06 g/mol |
| LogP | 4.1425 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.05815 |
| Heavy Atoms | 16 |
| Complexity | 351.45517 |
Chemical Identifiers
| CAS Number | 459187-70-3 |
|---|---|
| SMILES | C1CCN(C1)C(C=C(Cl)Cl)C2=CC=CC=C2 |
Product Overview
1-(3,3-Dichloro-1-phenylallyl)pyrrolidine (CAS 459187-70-3), with molecular formula C13H15Cl2N and molecular weight 255.06 g/mol. IUPAC: 1-(3,3-dichloro-1-phenylprop-2-enyl)pyrrolidine.
Chemical Property Profile of 1-(3,3-Dichloro-1-phenylallyl)pyrrolidine
Property Insights of 1-(3,3-Dichloro-1-phenylallyl)pyrrolidine
The XLogP value of 4.1425 indicates that 1-(3,3-Dichloro-1-phenylallyl)pyrrolidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, 1-(3,3-Dichloro-1-phenylallyl)pyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,3-Dichloro-1-phenylallyl)pyrrolidine has 0 hydrogen bond donor(s) and 1 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-(3,3-Dichloro-1-phenylallyl)pyrrolidine?
The CAS number of 1-(3,3-Dichloro-1-phenylallyl)pyrrolidine is 459187-70-3.
What is the molecular formula of 1-(3,3-Dichloro-1-phenylallyl)pyrrolidine?
The molecular formula of 1-(3,3-Dichloro-1-phenylallyl)pyrrolidine is C13H15Cl2N.
What is the molecular weight of 1-(3,3-Dichloro-1-phenylallyl)pyrrolidine?
The molecular weight of 1-(3,3-Dichloro-1-phenylallyl)pyrrolidine is 255.06 g/mol.
Where can I buy 1-(3,3-Dichloro-1-phenylallyl)pyrrolidine?
You can request a quote for 1-(3,3-Dichloro-1-phenylallyl)pyrrolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,3-Dichloro-1-phenylallyl)pyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,3-Dichloro-1-phenylallyl)pyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.