RefChem:367652
TL;DR: RefChem:367652 (CAS 53251-83-5) is a chemical compound with molecular formula C20H33NO4 and molecular weight 351.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-6-methyl-3-propan-2-ylbenzoate
Also Known As: Isopropyl 3-(2-hydroxy-3-(isopropylamino)propoxy)-p-cymene-2-carboxylate, p-Cymene-2-carboxylic acid, 3-(2-hydroxy-3-(isopropylamino)propoxy)-, isopropyl ester, Propan-2-yl 2-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}-6-methyl-3-(propan-2-yl)benzoate, 3-[2-Hydroxy-3-(isopropylamino)propoxy]-p-cymene-2-carboxylic acid isopropyl ester, propan-2-yl 2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-6-methyl-3-propan-2-ylbenzoate
| Molecular Formula | C20H33NO4 |
|---|---|
| Molecular Weight | 351.24 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 351.24097 |
| Heavy Atoms | 25 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 53251-83-5 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C(C)C)OCC(CNC(C)C)O)C(=O)OC(C)C |
| InChIKey | RUOFYGLAOTYOFP-UHFFFAOYSA-N |
Product Overview
RefChem:367652 (CAS 53251-83-5), with molecular formula C20H33NO4 and molecular weight 351.24 g/mol. IUPAC: propan-2-yl 2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-6-methyl-3-propan-2-ylbenzoate.
Chemical Property Profile of RefChem:367652
Property Insights of RefChem:367652
The XLogP value of 3.8 indicates that RefChem:367652 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:367652. Following Lipinski's Rule of Five, RefChem:367652 has 2 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:367652?
The CAS number of RefChem:367652 is 53251-83-5.
What is the molecular formula of RefChem:367652?
The molecular formula of RefChem:367652 is C20H33NO4.
What is the molecular weight of RefChem:367652?
The molecular weight of RefChem:367652 is 351.24 g/mol.
Where can I buy RefChem:367652?
You can request a quote for RefChem:367652 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:367652?
Yes, KEHONG BIO provides custom synthesis services for RefChem:367652 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.