RefChem:1061801
TL;DR: RefChem:1061801 (CAS 68097-46-1) is a chemical compound with molecular formula C12H19ClN2O3 and molecular weight 274.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-methoxyphenyl)carbamoyloxy]ethyl-dimethylazanium chloride
Also Known As: o-Methoxycarbanilic acid 2-(dimethylamino)ethyl ester hydrochloride, CARBANILIC ACID, o-METHOXY-, 2-(DIMETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE, 2-[(2-methoxyphenyl)carbamoyloxy]ethyl-dimethylazanium chloride, 2-(Dimethylamino)ethyl hydrogen (2-methoxyphenyl)carbonimidate--hydrogen chloride (1/1), Carbamic acid, (2-methoxyphenyl)-, 2-(dimethylamino)ethyl ester, monohydrochloride
| Molecular Formula | C12H19ClN2O3 |
|---|---|
| Molecular Weight | 274.11 g/mol |
| LogP | -2.61 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 274.10843 |
| Heavy Atoms | 18 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 68097-46-1 |
|---|---|
| SMILES | C[NH+](C)CCOC(=O)NC1=CC=CC=C1OC.[Cl-] |
| InChIKey | MYEMKVLJJKWMKH-UHFFFAOYSA-N |
Product Overview
RefChem:1061801 (CAS 68097-46-1), with molecular formula C12H19ClN2O3 and molecular weight 274.11 g/mol. IUPAC: 2-[(2-methoxyphenyl)carbamoyloxy]ethyl-dimethylazanium chloride.
Chemical Property Profile of RefChem:1061801
Property Insights of RefChem:1061801
The XLogP value of -2.61 indicates that RefChem:1061801 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.0 Ų, RefChem:1061801 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1061801 has 2 hydrogen bond donor(s) and 4 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:1061801?
The CAS number of RefChem:1061801 is 68097-46-1.
What is the molecular formula of RefChem:1061801?
The molecular formula of RefChem:1061801 is C12H19ClN2O3.
What is the molecular weight of RefChem:1061801?
The molecular weight of RefChem:1061801 is 274.11 g/mol.
Where can I buy RefChem:1061801?
You can request a quote for RefChem:1061801 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1061801?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1061801 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.