RefChem:1054172
TL;DR: RefChem:1054172 (CAS 60752-94-5) is a chemical compound with molecular formula C17H23ClN2O2 and molecular weight 322.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(3-ethylpent-1-yn-3-yl)azetidin-1-ium-3-yl] N-phenylcarbamate chloride
Also Known As: 1-(1,1-Diethyl-2-propynyl)-3-azetidinol phenylcarbamate (ester) hydrochloride, 3-Azetidinol, 1-(1,1-diethyl-2-propynyl)-, phenylcarbamate (ester), monohydrochloride, [1-(3-ethylpent-1-yn-3-yl)azetidin-1-ium-3-yl] N-phenylcarbamate chloride, [1-(3-ethylpent-1-yn-3-yl)azetidin-1-ium-3-yl] N-phenylcarbamatechloride, [1-(3-Ethylpent-1-yn-3-yl)azetidin-1-ium-3-yl]n-phenylcarbamatechloride
| Molecular Formula | C17H23ClN2O2 |
|---|---|
| Molecular Weight | 322.14 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 42.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 322.1448 |
| Heavy Atoms | 22 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 60752-94-5 |
|---|---|
| SMILES | CCC(CC)(C#C)[NH+]1CC(C1)OC(=O)NC2=CC=CC=C2.[Cl-] |
| InChIKey | ZSJIQGGOERQXHK-UHFFFAOYSA-N |
Product Overview
RefChem:1054172 (CAS 60752-94-5), with molecular formula C17H23ClN2O2 and molecular weight 322.14 g/mol. IUPAC: [1-(3-ethylpent-1-yn-3-yl)azetidin-1-ium-3-yl] N-phenylcarbamate chloride.
Chemical Property Profile of RefChem:1054172
Property Insights of RefChem:1054172
The XLogP value of -1.3 indicates that RefChem:1054172 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 42.8 Ų, RefChem:1054172 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1054172 has 2 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 RefChem:1054172?
The CAS number of RefChem:1054172 is 60752-94-5.
What is the molecular formula of RefChem:1054172?
The molecular formula of RefChem:1054172 is C17H23ClN2O2.
What is the molecular weight of RefChem:1054172?
The molecular weight of RefChem:1054172 is 322.14 g/mol.
Where can I buy RefChem:1054172?
You can request a quote for RefChem:1054172 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1054172?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1054172 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.