2-(Benzylamino)ethyl 1-phenylcyclopropane-1-carboxylate--hydrogen chloride (1/1)
TL;DR: 2-(Benzylamino)ethyl 1-phenylcyclopropane-1-carboxylate--hydrogen chloride (1/1) (CAS 67239-17-2) is a chemical compound with molecular formula C19H22ClNO2 and molecular weight 331.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-[2-(1-phenylcyclopropanecarbonyl)oxyethyl]azanium chloride
Also Known As: (E)-2,5-Di(methoxycarbonyl)-hex-2-en, 1-Phenylcyclopropanecarboxylic acid 2-(benzylamino)ethyl ester hydrochloride, benzyl-[2-(1-phenylcyclopropanecarbonyl)oxyethyl]azanium chloride, Cyclopropanecarboxylic acid, 1-phenyl-, 2-(benzylamino)ethyl ester, hydrochloride, benzyl-[2-(1-phenylcyclopropanecarbonyl)oxyethyl]azanium,chloride
| Molecular Formula | C19H22ClNO2 |
|---|---|
| Molecular Weight | 331.13 g/mol |
| LogP | -0.97 |
| Topological Polar Surface Area | 42.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 331.1339 |
| Heavy Atoms | 23 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 67239-17-2 |
|---|---|
| SMILES | C1CC1(C2=CC=CC=C2)C(=O)OCC[NH2+]CC3=CC=CC=C3.[Cl-] |
| InChIKey | TYBXZDRCCGCXCK-UHFFFAOYSA-N |
Product Overview
2-(Benzylamino)ethyl 1-phenylcyclopropane-1-carboxylate--hydrogen chloride (1/1) (CAS 67239-17-2), with molecular formula C19H22ClNO2 and molecular weight 331.13 g/mol. IUPAC: benzyl-[2-(1-phenylcyclopropanecarbonyl)oxyethyl]azanium chloride.
Chemical Property Profile of 2-(Benzylamino)ethyl 1-phenylcyclopropane-1-carboxylate--hydrogen chloride (1/1)
Property Insights of 2-(Benzylamino)ethyl 1-phenylcyclopropane-1-carboxylate--hydrogen chloride (1/1)
The XLogP value of -0.97 indicates that 2-(Benzylamino)ethyl 1-phenylcyclopropane-1-carboxylate--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 42.9 Ų, 2-(Benzylamino)ethyl 1-phenylcyclopropane-1-carboxylate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzylamino)ethyl 1-phenylcyclopropane-1-carboxylate--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 2-(Benzylamino)ethyl 1-phenylcyclopropane-1-carboxylate--hydrogen chloride (1/1)?
The CAS number of 2-(Benzylamino)ethyl 1-phenylcyclopropane-1-carboxylate--hydrogen chloride (1/1) is 67239-17-2.
What is the molecular formula of 2-(Benzylamino)ethyl 1-phenylcyclopropane-1-carboxylate--hydrogen chloride (1/1)?
The molecular formula of 2-(Benzylamino)ethyl 1-phenylcyclopropane-1-carboxylate--hydrogen chloride (1/1) is C19H22ClNO2.
What is the molecular weight of 2-(Benzylamino)ethyl 1-phenylcyclopropane-1-carboxylate--hydrogen chloride (1/1)?
The molecular weight of 2-(Benzylamino)ethyl 1-phenylcyclopropane-1-carboxylate--hydrogen chloride (1/1) is 331.13 g/mol.
Where can I buy 2-(Benzylamino)ethyl 1-phenylcyclopropane-1-carboxylate--hydrogen chloride (1/1)?
You can request a quote for 2-(Benzylamino)ethyl 1-phenylcyclopropane-1-carboxylate--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 2-(Benzylamino)ethyl 1-phenylcyclopropane-1-carboxylate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylamino)ethyl 1-phenylcyclopropane-1-carboxylate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.