4-(Pyrrolidin-1-yl)but-2-yn-1-yl diphenylacetate--hydrogen chloride (1/1)
TL;DR: 4-(Pyrrolidin-1-yl)but-2-yn-1-yl diphenylacetate--hydrogen chloride (1/1) (CAS 95130-29-3) is a chemical compound with molecular formula C22H24ClNO2 and molecular weight 369.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-pyrrolidin-1-ium-1-ylbut-2-ynyl 2,2-diphenylacetate chloride
Also Known As: Diphenylacetic acid 4-(1-pyrrolidinyl)-2-butynyl ester hydrochloride, ACETIC ACID, DIPHENYL-, 4-(1-PYRROLIDINYL)-2-BUTYNYL ESTER, HYDROCHLORIDE, 4-pyrrolidin-1-ium-1-ylbut-2-ynyl 2,2-diphenylacetate chloride, 4-(Pyrrolidin-1-yl)but-2-yn-1-yl diphenylacetate--hydrogen chloride (1/1), RefChem:1070193
| Molecular Formula | C22H24ClNO2 |
|---|---|
| Molecular Weight | 369.15 g/mol |
| LogP | -0.95 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 369.14957 |
| Heavy Atoms | 26 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 95130-29-3 |
|---|---|
| SMILES | C1CC[NH+](C1)CC#CCOC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-] |
| InChIKey | ZKCUFHBXNSNXSL-UHFFFAOYSA-N |
Product Overview
4-(Pyrrolidin-1-yl)but-2-yn-1-yl diphenylacetate--hydrogen chloride (1/1) (CAS 95130-29-3), with molecular formula C22H24ClNO2 and molecular weight 369.15 g/mol. IUPAC: 4-pyrrolidin-1-ium-1-ylbut-2-ynyl 2,2-diphenylacetate chloride.
Chemical Property Profile of 4-(Pyrrolidin-1-yl)but-2-yn-1-yl diphenylacetate--hydrogen chloride (1/1)
Property Insights of 4-(Pyrrolidin-1-yl)but-2-yn-1-yl diphenylacetate--hydrogen chloride (1/1)
The XLogP value of -0.95 indicates that 4-(Pyrrolidin-1-yl)but-2-yn-1-yl diphenylacetate--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, 4-(Pyrrolidin-1-yl)but-2-yn-1-yl diphenylacetate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Pyrrolidin-1-yl)but-2-yn-1-yl diphenylacetate--hydrogen chloride (1/1) 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-(Pyrrolidin-1-yl)but-2-yn-1-yl diphenylacetate--hydrogen chloride (1/1)?
The CAS number of 4-(Pyrrolidin-1-yl)but-2-yn-1-yl diphenylacetate--hydrogen chloride (1/1) is 95130-29-3.
What is the molecular formula of 4-(Pyrrolidin-1-yl)but-2-yn-1-yl diphenylacetate--hydrogen chloride (1/1)?
The molecular formula of 4-(Pyrrolidin-1-yl)but-2-yn-1-yl diphenylacetate--hydrogen chloride (1/1) is C22H24ClNO2.
What is the molecular weight of 4-(Pyrrolidin-1-yl)but-2-yn-1-yl diphenylacetate--hydrogen chloride (1/1)?
The molecular weight of 4-(Pyrrolidin-1-yl)but-2-yn-1-yl diphenylacetate--hydrogen chloride (1/1) is 369.15 g/mol.
Where can I buy 4-(Pyrrolidin-1-yl)but-2-yn-1-yl diphenylacetate--hydrogen chloride (1/1)?
You can request a quote for 4-(Pyrrolidin-1-yl)but-2-yn-1-yl diphenylacetate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Pyrrolidin-1-yl)but-2-yn-1-yl diphenylacetate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 4-(Pyrrolidin-1-yl)but-2-yn-1-yl diphenylacetate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.