RefChem:1054014
TL;DR: RefChem:1054014 (CAS 60752-81-0) is a chemical compound with molecular formula C12H21ClN2O2 and molecular weight 260.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(2-methylbut-3-yn-2-yl)azetidin-1-ium-3-yl] N-propylcarbamate chloride
Also Known As: Propylcarbamic acid 1-(1,1-dimethyl-2-propynyl)-3-azetidinyl ester hydrochloride, Carbamic acid, propyl-, 1-(1,1-dimethyl-2-propynyl)-3-azetidinyl ester, monohydrochloride, [1-(2-methylbut-3-yn-2-yl)azetidin-1-ium-3-yl] N-propylcarbamate chloride, [1-(2-methylbut-3-yn-2-yl)azetidin-1-ium-3-yl] N-propylcarbamatechloride, [1-(2-Methylbut-3-yn-2-yl)azetidin-1-ium-3-yl]n-propylcarbamatechloride
| Molecular Formula | C12H21ClN2O2 |
|---|---|
| Molecular Weight | 260.13 g/mol |
| LogP | -3.19 |
| Topological Polar Surface Area | 42.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 260.12915 |
| Heavy Atoms | 17 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 60752-81-0 |
|---|---|
| SMILES | CCCNC(=O)OC1C[NH+](C1)C(C)(C)C#C.[Cl-] |
| InChIKey | HOUGCMPZCKNBIF-UHFFFAOYSA-N |
Product Overview
RefChem:1054014 (CAS 60752-81-0), with molecular formula C12H21ClN2O2 and molecular weight 260.13 g/mol. IUPAC: [1-(2-methylbut-3-yn-2-yl)azetidin-1-ium-3-yl] N-propylcarbamate chloride.
Chemical Property Profile of RefChem:1054014
Property Insights of RefChem:1054014
The XLogP value of -3.19 indicates that RefChem:1054014 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:1054014 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1054014 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:1054014?
The CAS number of RefChem:1054014 is 60752-81-0.
What is the molecular formula of RefChem:1054014?
The molecular formula of RefChem:1054014 is C12H21ClN2O2.
What is the molecular weight of RefChem:1054014?
The molecular weight of RefChem:1054014 is 260.13 g/mol.
Where can I buy RefChem:1054014?
You can request a quote for RefChem:1054014 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1054014?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1054014 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.