Phthalimide, N-(6-(1-pyrrolidinyl)-4-hexynyl)-, monohydrochloride
TL;DR: Phthalimide, N-(6-(1-pyrrolidinyl)-4-hexynyl)-, monohydrochloride (CAS 14053-17-9) is a chemical compound with molecular formula C18H21ClN2O2 and molecular weight 332.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-pyrrolidin-1-ylhex-4-ynyl)isoindole-1,3-dione;hydrochloride
Also Known As: N-(6-(1-Pyrrolidinyl)-4-hexynyl)phthalimide hydrochloride, Phthalimide, N-(6-(1-pyrrolidinyl)-4-hexynyl)-, monohydrochloride, 2-(6-pyrrolidin-1-ylhex-4-ynyl)isoindole-1,3-dione hydrochloride, 2-[6-(Pyrrolidin-1-yl)hex-4-yn-1-yl]-1H-isoindole-1,3(2H)-dione--hydrogen chloride (1/1), RefChem:371600
| Molecular Formula | C18H21ClN2O2 |
|---|---|
| Molecular Weight | 332.13 g/mol |
| LogP | 2.5838 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.12915 |
| Heavy Atoms | 23 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 14053-17-9 |
|---|---|
| SMILES | C1CCN(C1)CC#CCCCN2C(=O)C3=CC=CC=C3C2=O.Cl |
| InChIKey | ZOTONJRQMBVQTQ-UHFFFAOYSA-N |
Product Overview
Phthalimide, N-(6-(1-pyrrolidinyl)-4-hexynyl)-, monohydrochloride (CAS 14053-17-9), with molecular formula C18H21ClN2O2 and molecular weight 332.13 g/mol. IUPAC: 2-(6-pyrrolidin-1-ylhex-4-ynyl)isoindole-1,3-dione;hydrochloride.
Chemical Property Profile of Phthalimide, N-(6-(1-pyrrolidinyl)-4-hexynyl)-, monohydrochloride
Property Insights of Phthalimide, N-(6-(1-pyrrolidinyl)-4-hexynyl)-, monohydrochloride
The XLogP value of 2.5838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phthalimide, N-(6-(1-pyrrolidinyl)-4-hexynyl)-, monohydrochloride. With a topological polar surface area (TPSA) of 40.6 Ų, Phthalimide, N-(6-(1-pyrrolidinyl)-4-hexynyl)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phthalimide, N-(6-(1-pyrrolidinyl)-4-hexynyl)-, monohydrochloride 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 Phthalimide, N-(6-(1-pyrrolidinyl)-4-hexynyl)-, monohydrochloride?
The CAS number of Phthalimide, N-(6-(1-pyrrolidinyl)-4-hexynyl)-, monohydrochloride is 14053-17-9.
What is the molecular formula of Phthalimide, N-(6-(1-pyrrolidinyl)-4-hexynyl)-, monohydrochloride?
The molecular formula of Phthalimide, N-(6-(1-pyrrolidinyl)-4-hexynyl)-, monohydrochloride is C18H21ClN2O2.
What is the molecular weight of Phthalimide, N-(6-(1-pyrrolidinyl)-4-hexynyl)-, monohydrochloride?
The molecular weight of Phthalimide, N-(6-(1-pyrrolidinyl)-4-hexynyl)-, monohydrochloride is 332.13 g/mol.
Where can I buy Phthalimide, N-(6-(1-pyrrolidinyl)-4-hexynyl)-, monohydrochloride?
You can request a quote for Phthalimide, N-(6-(1-pyrrolidinyl)-4-hexynyl)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phthalimide, N-(6-(1-pyrrolidinyl)-4-hexynyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Phthalimide, N-(6-(1-pyrrolidinyl)-4-hexynyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.