RefChem:367661
TL;DR: RefChem:367661 (CAS 53251-87-9) is a chemical compound with molecular formula C19H30N2O4 and molecular weight 350.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-[3-(dimethylamino)propylamino]-2-oxoethoxy]-6-methyl-3-propan-2-ylbenzoate
Also Known As: p-Cymene-2-carboxylic acid, 3-(3-(dimethylamino)propylcarbamoylmethoxy)-, methyl ester, Benzoic acid, 2-(3-(dimethylamino)propylcarbamoylmethoxy)-3-isopropyl-6-methyl-,methyl ester, butyl 2-(2-dimethylaminoethyloxy)-6-methyl-3-propan-2-ylbenzoate, methyl 2-[2-[3-(dimethylamino)propylamino]-2-oxoethoxy]-6-methyl-3-propan-2-ylbenzoate, 3-[3-(Dimethylamino)propylcarbamoylmethoxy]-p-cymene-2-carboxylic acid methyl ester
| Molecular Formula | C19H30N2O4 |
|---|---|
| Molecular Weight | 350.22 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 350.22055 |
| Heavy Atoms | 25 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 53251-87-9 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C(C)C)OCC(=O)NCCCN(C)C)C(=O)OC |
| InChIKey | QFGAHDNFJKVAQU-UHFFFAOYSA-N |
Product Overview
RefChem:367661 (CAS 53251-87-9), with molecular formula C19H30N2O4 and molecular weight 350.22 g/mol. IUPAC: methyl 2-[2-[3-(dimethylamino)propylamino]-2-oxoethoxy]-6-methyl-3-propan-2-ylbenzoate.
Chemical Property Profile of RefChem:367661
Property Insights of RefChem:367661
The XLogP value of 3.0 indicates that RefChem:367661 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:367661. Following Lipinski's Rule of Five, RefChem:367661 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:367661?
The CAS number of RefChem:367661 is 53251-87-9.
What is the molecular formula of RefChem:367661?
The molecular formula of RefChem:367661 is C19H30N2O4.
What is the molecular weight of RefChem:367661?
The molecular weight of RefChem:367661 is 350.22 g/mol.
Where can I buy RefChem:367661?
You can request a quote for RefChem:367661 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:367661?
Yes, KEHONG BIO provides custom synthesis services for RefChem:367661 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.