RefChem:1053742
TL;DR: RefChem:1053742 (CAS 60752-91-2) is a chemical compound with molecular formula C13H21ClN2O2 and molecular weight 272.13 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-methylcarbamate chloride
Also Known As: 1-(1-Ethynylcyclohexyl)-3-azetidinol methylcarbamate (ester) hydrochloride, 3-Azetidinol, 1-(1-ethynylcyclohexyl)-, methylcarbamate (ester), monohydrochloride, [1-(1-ethynylcyclohexyl)azetidin-1-ium-3-yl] N-methylcarbamate chloride, [1-(1-Ethynylcyclohexyl)azetidin-1-ium-3-yl]n-methylcarbamate chloride, 1-(1-Ethynylcyclohexyl)azetidin-3-yl hydrogen methylcarbonimidate--hydrogen chloride (1/1)
| Molecular Formula | C13H21ClN2O2 |
|---|---|
| Molecular Weight | 272.13 g/mol |
| LogP | -3.05 |
| Topological Polar Surface Area | 42.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.12915 |
| Heavy Atoms | 18 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 60752-91-2 |
|---|---|
| SMILES | CNC(=O)OC1C[NH+](C1)C2(CCCCC2)C#C.[Cl-] |
| InChIKey | IBFKEWYKXTYFOQ-UHFFFAOYSA-N |
Product Overview
RefChem:1053742 (CAS 60752-91-2), with molecular formula C13H21ClN2O2 and molecular weight 272.13 g/mol. IUPAC: [1-(1-ethynylcyclohexyl)azetidin-1-ium-3-yl] N-methylcarbamate chloride.
Chemical Property Profile of RefChem:1053742
Property Insights of RefChem:1053742
The XLogP value of -3.05 indicates that RefChem:1053742 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:1053742 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1053742 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:1053742?
The CAS number of RefChem:1053742 is 60752-91-2.
What is the molecular formula of RefChem:1053742?
The molecular formula of RefChem:1053742 is C13H21ClN2O2.
What is the molecular weight of RefChem:1053742?
The molecular weight of RefChem:1053742 is 272.13 g/mol.
Where can I buy RefChem:1053742?
You can request a quote for RefChem:1053742 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1053742?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1053742 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.