RefChem:367642
TL;DR: RefChem:367642 (CAS 53206-90-9) is a chemical compound with molecular formula C18H28N2O4 and molecular weight 336.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-6-methyl-3-propan-2-ylbenzoate
Also Known As: p-Cymene-2-carboxylic acid, 3-(2-(dimethylamino)ethylcarbamoylmethoxy)-, methyl ester, Benzoic acid, 2-(2-(dimethylamino)ethylcarbamoylmethoxy)-3-isopropyl-6-methyl-,methyl ester, 3-[2- ethylcarbamoylmethoxy]-p-cymene-2-carboxylicacidmethylester, Acetamide,2-(6-isopropyl-2-methoxycarbonyl-3-methyl)phenoxy, 3-[2-(Dimethylamino)ethylcarbamoylmethoxy]-p-cymene-2-carboxylic acid methyl ester
| Molecular Formula | C18H28N2O4 |
|---|---|
| Molecular Weight | 336.20 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 336.2049 |
| Heavy Atoms | 24 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 53206-90-9 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C(C)C)OCC(=O)NCCN(C)C)C(=O)OC |
| InChIKey | PDOLRXVBUWVQQX-UHFFFAOYSA-N |
Product Overview
RefChem:367642 (CAS 53206-90-9), with molecular formula C18H28N2O4 and molecular weight 336.20 g/mol. IUPAC: methyl 2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-6-methyl-3-propan-2-ylbenzoate.
Chemical Property Profile of RefChem:367642
Property Insights of RefChem:367642
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:367642. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:367642. Following Lipinski's Rule of Five, RefChem:367642 has 1 hydrogen bond donor(s) and 5 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:367642?
The CAS number of RefChem:367642 is 53206-90-9.
What is the molecular formula of RefChem:367642?
The molecular formula of RefChem:367642 is C18H28N2O4.
What is the molecular weight of RefChem:367642?
The molecular weight of RefChem:367642 is 336.20 g/mol.
Where can I buy RefChem:367642?
You can request a quote for RefChem:367642 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:367642?
Yes, KEHONG BIO provides custom synthesis services for RefChem:367642 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.