1-(Pyrrolidin-1-yl)propan-2-yl 4-chlorobenzoate
TL;DR: 1-(Pyrrolidin-1-yl)propan-2-yl 4-chlorobenzoate (CAS 693224-48-5) is a chemical compound with molecular formula C14H18ClNO2 and molecular weight 267.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-pyrrolidin-1-ylpropan-2-yl 4-chlorobenzoate
Also Known As: 1-(pyrrolidin-1-yl)propan-2-yl 4-chlorobenzoate, BAS 05948091, 1-pyrrolidin-1-ylpropan-2-yl 4-chlorobenzoate, AO-365/41690542, 1-methyl-2-(1-pyrrolidinyl)ethyl 4-chlorobenzoate
| Molecular Formula | C14H18ClNO2 |
|---|---|
| Molecular Weight | 267.10 g/mol |
| LogP | 2.9811 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.1026 |
| Heavy Atoms | 18 |
| Complexity | 398.75995 |
Chemical Identifiers
| CAS Number | 693224-48-5 |
|---|---|
| SMILES | CC(CN1CCCC1)OC(=O)C2=CC=C(C=C2)Cl |
Product Overview
1-(Pyrrolidin-1-yl)propan-2-yl 4-chlorobenzoate (CAS 693224-48-5), with molecular formula C14H18ClNO2 and molecular weight 267.10 g/mol. IUPAC: 1-pyrrolidin-1-ylpropan-2-yl 4-chlorobenzoate.
Chemical Property Profile of 1-(Pyrrolidin-1-yl)propan-2-yl 4-chlorobenzoate
Property Insights of 1-(Pyrrolidin-1-yl)propan-2-yl 4-chlorobenzoate
The XLogP value of 2.9811 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Pyrrolidin-1-yl)propan-2-yl 4-chlorobenzoate. With a topological polar surface area (TPSA) of 29.54 Ų, 1-(Pyrrolidin-1-yl)propan-2-yl 4-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Pyrrolidin-1-yl)propan-2-yl 4-chlorobenzoate 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-(Pyrrolidin-1-yl)propan-2-yl 4-chlorobenzoate?
The CAS number of 1-(Pyrrolidin-1-yl)propan-2-yl 4-chlorobenzoate is 693224-48-5.
What is the molecular formula of 1-(Pyrrolidin-1-yl)propan-2-yl 4-chlorobenzoate?
The molecular formula of 1-(Pyrrolidin-1-yl)propan-2-yl 4-chlorobenzoate is C14H18ClNO2.
What is the molecular weight of 1-(Pyrrolidin-1-yl)propan-2-yl 4-chlorobenzoate?
The molecular weight of 1-(Pyrrolidin-1-yl)propan-2-yl 4-chlorobenzoate is 267.10 g/mol.
Where can I buy 1-(Pyrrolidin-1-yl)propan-2-yl 4-chlorobenzoate?
You can request a quote for 1-(Pyrrolidin-1-yl)propan-2-yl 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Pyrrolidin-1-yl)propan-2-yl 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-(Pyrrolidin-1-yl)propan-2-yl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.