RefChem:1080976
TL;DR: RefChem:1080976 (CAS 60752-93-4) is a chemical compound with molecular formula C15H25ClN2O2 and molecular weight 300.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(1-ethynylcyclohexyl)azetidin-1-ium-3-yl] N-propylcarbamate chloride
Also Known As: Propylcarbamic acid 1-(1-ethynylcyclohexyl)-3-azetidinyl ester hydrochloride, Carbamic acid, propyl-, 1-(1-ethynylcyclohexyl)-3-azetidinyl ester, monohydrochloride, [1-(1-ethynylcyclohexyl)azetidin-1-ium-3-yl] N-propylcarbamate chloride, RefChem:1080976
| Molecular Formula | C15H25ClN2O2 |
|---|---|
| Molecular Weight | 300.16 g/mol |
| LogP | -2.27 |
| Topological Polar Surface Area | 42.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 300.16046 |
| Heavy Atoms | 20 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 60752-93-4 |
|---|---|
| SMILES | CCCNC(=O)OC1C[NH+](C1)C2(CCCCC2)C#C.[Cl-] |
| InChIKey | BSCIOZWHAFRQJY-UHFFFAOYSA-N |
Product Overview
RefChem:1080976 (CAS 60752-93-4), with molecular formula C15H25ClN2O2 and molecular weight 300.16 g/mol. IUPAC: [1-(1-ethynylcyclohexyl)azetidin-1-ium-3-yl] N-propylcarbamate chloride.
Chemical Property Profile of RefChem:1080976
Property Insights of RefChem:1080976
The XLogP value of -2.27 indicates that RefChem:1080976 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:1080976 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1080976 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:1080976?
The CAS number of RefChem:1080976 is 60752-93-4.
What is the molecular formula of RefChem:1080976?
The molecular formula of RefChem:1080976 is C15H25ClN2O2.
What is the molecular weight of RefChem:1080976?
The molecular weight of RefChem:1080976 is 300.16 g/mol.
Where can I buy RefChem:1080976?
You can request a quote for RefChem:1080976 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1080976?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1080976 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.