RefChem:1054175
TL;DR: RefChem:1054175 (CAS 60752-67-2) is a chemical compound with molecular formula C14H25ClN2O2 and molecular weight 288.16 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-propylcarbamate chloride
Also Known As: Propylcarbamic acid 1-(1,1-diethyl-2-propynyl)-3-azetidinyl ester hydrochloride, (Diethyl-1,1 propyne-2 yl)-1 propylcarbamoyloxy-3 azetidine chlorhydrate [French], Carbamic acid, propyl-, 1-(1,1-diethyl-2-propynyl)-3-azetidinyl ester, monohydrochloride, (Diethyl-1,1 propyne-2 yl)-1 propylcarbamoyloxy-3 azetidine chlorhydrate, [1-(3-ethylpent-1-yn-3-yl)azetidin-1-ium-3-yl] N-propylcarbamate chloride
| Molecular Formula | C14H25ClN2O2 |
|---|---|
| Molecular Weight | 288.16 g/mol |
| LogP | -2.41 |
| Topological Polar Surface Area | 42.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 288.16046 |
| Heavy Atoms | 19 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 60752-67-2 |
|---|---|
| SMILES | CCCNC(=O)OC1C[NH+](C1)C(CC)(CC)C#C.[Cl-] |
| InChIKey | NIXVFUFHHSYPBQ-UHFFFAOYSA-N |
Product Overview
RefChem:1054175 (CAS 60752-67-2), with molecular formula C14H25ClN2O2 and molecular weight 288.16 g/mol. IUPAC: [1-(3-ethylpent-1-yn-3-yl)azetidin-1-ium-3-yl] N-propylcarbamate chloride.
Chemical Property Profile of RefChem:1054175
Property Insights of RefChem:1054175
The XLogP value of -2.41 indicates that RefChem:1054175 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:1054175 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1054175 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:1054175?
The CAS number of RefChem:1054175 is 60752-67-2.
What is the molecular formula of RefChem:1054175?
The molecular formula of RefChem:1054175 is C14H25ClN2O2.
What is the molecular weight of RefChem:1054175?
The molecular weight of RefChem:1054175 is 288.16 g/mol.
Where can I buy RefChem:1054175?
You can request a quote for RefChem:1054175 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1054175?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1054175 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.