RefChem:1067109
TL;DR: RefChem:1067109 (CAS 63884-80-0) is a chemical compound with molecular formula C12H17ClN2O2 and molecular weight 256.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[3-(prop-2-enylcarbamoyloxy)phenyl]azanium chloride
Also Known As: Allylcarbamic ester of m-oxyphenylidimethylamine hydrochloride, CARBAMIC ACID, ALLYL-, m-(DIMETHYLAMINO)PHENYL ESTER, HYDROCHLORIDE, Carbamic acid, N-allyl-, 3-dimethylaminophenyl ester, hydrochloride, dimethyl-[3-(prop-2-enylcarbamoyloxy)phenyl]azanium chloride, 3-(Dimethylamino)phenyl hydrogen prop-2-en-1-ylcarbonimidate--hydrogen chloride (1/1)
| Molecular Formula | C12H17ClN2O2 |
|---|---|
| Molecular Weight | 256.10 g/mol |
| LogP | -2.26 |
| Topological Polar Surface Area | 42.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.09787 |
| Heavy Atoms | 17 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 63884-80-0 |
|---|---|
| SMILES | C[NH+](C)C1=CC(=CC=C1)OC(=O)NCC=C.[Cl-] |
| InChIKey | LJKIRELMTXZWIT-UHFFFAOYSA-N |
Product Overview
RefChem:1067109 (CAS 63884-80-0), with molecular formula C12H17ClN2O2 and molecular weight 256.10 g/mol. IUPAC: dimethyl-[3-(prop-2-enylcarbamoyloxy)phenyl]azanium chloride.
Chemical Property Profile of RefChem:1067109
Property Insights of RefChem:1067109
The XLogP value of -2.26 indicates that RefChem:1067109 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:1067109 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1067109 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:1067109?
The CAS number of RefChem:1067109 is 63884-80-0.
What is the molecular formula of RefChem:1067109?
The molecular formula of RefChem:1067109 is C12H17ClN2O2.
What is the molecular weight of RefChem:1067109?
The molecular weight of RefChem:1067109 is 256.10 g/mol.
Where can I buy RefChem:1067109?
You can request a quote for RefChem:1067109 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1067109?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1067109 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.