4-(Diisopropylamino)-2-butynyl 1-phenylcyclopentanecarboxylate hydrochloride
TL;DR: 4-(Diisopropylamino)-2-butynyl 1-phenylcyclopentanecarboxylate hydrochloride (CAS 2876-70-2) is a chemical compound with molecular formula C22H32ClNO2 and molecular weight 377.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[di(propan-2-yl)amino]but-2-ynyl 1-phenylcyclopentane-1-carboxylate;hydrochloride
Also Known As: 4-(Diisopropylamino)-2-butynyl 1-phenylcyclopentanecarboxylate hydrochloride, Cyclopentanecarboxylic acid, 1-phenyl-, 4-(diisopropylamino)-2-butynyl ester, hydrochloride, 4-(dipropan-2-ylamino)but-2-yn-1-yl 1-phenylcyclopentanecarboxylate hydrochloride(1:1), 4-[di(propan-2-yl)amino]but-2-ynyl 1-phenylcyclopentane-1-carboxylate hydrochloride, 4-[di(propan-2-yl)amino]but-2-ynyl 1-phenylcyclopentane-1-carboxylate,hydrochloride
| Molecular Formula | C22H32ClNO2 |
|---|---|
| Molecular Weight | 377.21 g/mol |
| LogP | 4.5856 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 377.21216 |
| Heavy Atoms | 26 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 2876-70-2 |
|---|---|
| SMILES | CC(C)N(CC#CCOC(=O)C1(CCCC1)C2=CC=CC=C2)C(C)C.Cl |
| InChIKey | QWAPXBZACIYRNT-UHFFFAOYSA-N |
Product Overview
4-(Diisopropylamino)-2-butynyl 1-phenylcyclopentanecarboxylate hydrochloride (CAS 2876-70-2), with molecular formula C22H32ClNO2 and molecular weight 377.21 g/mol. IUPAC: 4-[di(propan-2-yl)amino]but-2-ynyl 1-phenylcyclopentane-1-carboxylate;hydrochloride.
Chemical Property Profile of 4-(Diisopropylamino)-2-butynyl 1-phenylcyclopentanecarboxylate hydrochloride
Property Insights of 4-(Diisopropylamino)-2-butynyl 1-phenylcyclopentanecarboxylate hydrochloride
The XLogP value of 4.5856 indicates that 4-(Diisopropylamino)-2-butynyl 1-phenylcyclopentanecarboxylate hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 4-(Diisopropylamino)-2-butynyl 1-phenylcyclopentanecarboxylate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Diisopropylamino)-2-butynyl 1-phenylcyclopentanecarboxylate hydrochloride has 1 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 4-(Diisopropylamino)-2-butynyl 1-phenylcyclopentanecarboxylate hydrochloride?
The CAS number of 4-(Diisopropylamino)-2-butynyl 1-phenylcyclopentanecarboxylate hydrochloride is 2876-70-2.
What is the molecular formula of 4-(Diisopropylamino)-2-butynyl 1-phenylcyclopentanecarboxylate hydrochloride?
The molecular formula of 4-(Diisopropylamino)-2-butynyl 1-phenylcyclopentanecarboxylate hydrochloride is C22H32ClNO2.
What is the molecular weight of 4-(Diisopropylamino)-2-butynyl 1-phenylcyclopentanecarboxylate hydrochloride?
The molecular weight of 4-(Diisopropylamino)-2-butynyl 1-phenylcyclopentanecarboxylate hydrochloride is 377.21 g/mol.
Where can I buy 4-(Diisopropylamino)-2-butynyl 1-phenylcyclopentanecarboxylate hydrochloride?
You can request a quote for 4-(Diisopropylamino)-2-butynyl 1-phenylcyclopentanecarboxylate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Diisopropylamino)-2-butynyl 1-phenylcyclopentanecarboxylate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-(Diisopropylamino)-2-butynyl 1-phenylcyclopentanecarboxylate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.