RefChem:1078190
TL;DR: RefChem:1078190 (CAS 64046-12-4) 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.
diethyl-methyl-[3-(methylcarbamoyloxy)phenyl]azanium chloride
Also Known As: T-1123, Carbamic acid, methyl-, m-(diethylmethylammonio)phenyl ester, chloride, Ammonium, (3-(N-methylcarbamoyloxy)phenyl)diethylmethyl-, chloride, Carbamic acid, N-methyl-, 3-diethylaminophenyl ester, methochloride, AMMONIUM, (m-HYDROXYPHENYL)DIETHYLMETHYL-, CHLORIDE, METHYLCARBAMATE
| Molecular Formula | C13H21ClN2O2 |
|---|---|
| Molecular Weight | 272.13 g/mol |
| LogP | -0.61 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 272.12915 |
| Heavy Atoms | 18 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 64046-12-4 |
|---|---|
| SMILES | CC[N+](C)(CC)C1=CC(=CC=C1)OC(=O)NC.[Cl-] |
| InChIKey | JLNMGRFEXZJGFZ-UHFFFAOYSA-N |
Product Overview
RefChem:1078190 (CAS 64046-12-4), with molecular formula C13H21ClN2O2 and molecular weight 272.13 g/mol. IUPAC: diethyl-methyl-[3-(methylcarbamoyloxy)phenyl]azanium chloride.
Chemical Property Profile of RefChem:1078190
Property Insights of RefChem:1078190
The XLogP value of -0.61 indicates that RefChem:1078190 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 38.3 Ų, RefChem:1078190 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1078190 has 1 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:1078190?
The CAS number of RefChem:1078190 is 64046-12-4.
What is the molecular formula of RefChem:1078190?
The molecular formula of RefChem:1078190 is C13H21ClN2O2.
What is the molecular weight of RefChem:1078190?
The molecular weight of RefChem:1078190 is 272.13 g/mol.
Where can I buy RefChem:1078190?
You can request a quote for RefChem:1078190 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1078190?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1078190 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.