RefChem:367650
TL;DR: RefChem:367650 (CAS 53206-82-9) is a chemical compound with molecular formula C17H27NO4 and molecular weight 309.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-(dimethylamino)-2-hydroxypropoxy]-6-methyl-3-propan-2-ylbenzoate
Also Known As: Methyl 3-(2-hydroxy-3-(dimethylamino)propoxy)-p-cymene-2-carboxylate, p-Cymene-2-carboxylic acid, 3-(2-hydroxy-3-(dimethylamino)propoxy)-, methyl ester, methyl 2-[3-(dimethylamino)-2-hydroxypropoxy]-6-methyl-3-propan-2-ylbenzoate, Methyl 2-[3-(dimethylamino)-2-hydroxypropoxy]-6-methyl-3-(propan-2-yl)benzoate, 3-[2-Hydroxy-3-(dimethylamino)propoxy]-p-cymene-2-carboxylic acid methyl ester
| Molecular Formula | C17H27NO4 |
|---|---|
| Molecular Weight | 309.19 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 309.194 |
| Heavy Atoms | 22 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 53206-82-9 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C(C)C)OCC(CN(C)C)O)C(=O)OC |
| InChIKey | SCYNDZYCBJLQDA-UHFFFAOYSA-N |
Product Overview
RefChem:367650 (CAS 53206-82-9), with molecular formula C17H27NO4 and molecular weight 309.19 g/mol. IUPAC: methyl 2-[3-(dimethylamino)-2-hydroxypropoxy]-6-methyl-3-propan-2-ylbenzoate.
Chemical Property Profile of RefChem:367650
Property Insights of RefChem:367650
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:367650. With a topological polar surface area (TPSA) of 59.0 Ų, RefChem:367650 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:367650 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:367650?
The CAS number of RefChem:367650 is 53206-82-9.
What is the molecular formula of RefChem:367650?
The molecular formula of RefChem:367650 is C17H27NO4.
What is the molecular weight of RefChem:367650?
The molecular weight of RefChem:367650 is 309.19 g/mol.
Where can I buy RefChem:367650?
You can request a quote for RefChem:367650 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:367650?
Yes, KEHONG BIO provides custom synthesis services for RefChem:367650 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.