2'-Diisopropylaminoethyl 1-phenylcyclopentanecarboxylate
TL;DR: 2'-Diisopropylaminoethyl 1-phenylcyclopentanecarboxylate (CAS 29885-22-1) is a chemical compound with molecular formula C20H31NO2 and molecular weight 317.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[di(propan-2-yl)amino]ethyl 1-phenylcyclopentane-1-carboxylate
Also Known As: PNU-171990 free base, 2'-Diisopropylaminoethyl 1-phenylcyclopentanecarboxylate, Cyclopentanecarboxylic acid, 1-phenyl-, 2-(diisopropylamino)ethyl ester, Ethanol, 2-(diisopropylamino)-, 1-phenylcyclopentanecarboxylate (ester), Cyclopentanecarboxylic acid, 1-phenyl-, 2-(bis(1-methylethyl)amino)ethyl ester
| Molecular Formula | C20H31NO2 |
|---|---|
| Molecular Weight | 317.24 g/mol |
| LogP | 4.1604 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 317.23547 |
| Heavy Atoms | 23 |
| Complexity | 481.62296 |
Chemical Identifiers
| CAS Number | 29885-22-1 |
|---|---|
| SMILES | CC(C)N(CCOC(=O)C1(CCCC1)C2=CC=CC=C2)C(C)C |
Product Overview
2'-Diisopropylaminoethyl 1-phenylcyclopentanecarboxylate (CAS 29885-22-1), with molecular formula C20H31NO2 and molecular weight 317.24 g/mol. IUPAC: 2-[di(propan-2-yl)amino]ethyl 1-phenylcyclopentane-1-carboxylate.
Chemical Property Profile of 2'-Diisopropylaminoethyl 1-phenylcyclopentanecarboxylate
Property Insights of 2'-Diisopropylaminoethyl 1-phenylcyclopentanecarboxylate
The XLogP value of 4.1604 indicates that 2'-Diisopropylaminoethyl 1-phenylcyclopentanecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, 2'-Diisopropylaminoethyl 1-phenylcyclopentanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2'-Diisopropylaminoethyl 1-phenylcyclopentanecarboxylate 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 2'-Diisopropylaminoethyl 1-phenylcyclopentanecarboxylate?
The CAS number of 2'-Diisopropylaminoethyl 1-phenylcyclopentanecarboxylate is 29885-22-1.
What is the molecular formula of 2'-Diisopropylaminoethyl 1-phenylcyclopentanecarboxylate?
The molecular formula of 2'-Diisopropylaminoethyl 1-phenylcyclopentanecarboxylate is C20H31NO2.
What is the molecular weight of 2'-Diisopropylaminoethyl 1-phenylcyclopentanecarboxylate?
The molecular weight of 2'-Diisopropylaminoethyl 1-phenylcyclopentanecarboxylate is 317.24 g/mol.
Where can I buy 2'-Diisopropylaminoethyl 1-phenylcyclopentanecarboxylate?
You can request a quote for 2'-Diisopropylaminoethyl 1-phenylcyclopentanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Diisopropylaminoethyl 1-phenylcyclopentanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2'-Diisopropylaminoethyl 1-phenylcyclopentanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.