RefChem:367644
TL;DR: RefChem:367644 (CAS 53206-81-8) is a chemical compound with molecular formula C18H25NO4 and molecular weight 319.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-hydroxy-3-(prop-2-ynylamino)propoxy]-6-methyl-3-propan-2-ylbenzoate
Also Known As: Methyl 3-(2-hydroxy-3-(2-propynylamino)propoxy)-p-cymene-2-carboxylate, p-Cymene-2-carboxylic acid, 3-(2-hydroxy-3-(2-propynylamino)propoxy)-, methyl ester, 3-[2-Hydroxy-3- propoxy]-p-cymene-2-carboxylicacidmethylester, methyl 2-[2-hydroxy-3-(prop-2-ynylamino)propoxy]-6-methyl-3-propan-2-ylbenzoate, Methyl 2-{2-hydroxy-3-[(prop-2-yn-1-yl)amino]propoxy}-6-methyl-3-(propan-2-yl)benzoate
| Molecular Formula | C18H25NO4 |
|---|---|
| Molecular Weight | 319.18 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 319.17834 |
| Heavy Atoms | 23 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 53206-81-8 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C(C)C)OCC(CNCC#C)O)C(=O)OC |
| InChIKey | XQPZMLWDJXTBRD-UHFFFAOYSA-N |
Product Overview
RefChem:367644 (CAS 53206-81-8), with molecular formula C18H25NO4 and molecular weight 319.18 g/mol. IUPAC: methyl 2-[2-hydroxy-3-(prop-2-ynylamino)propoxy]-6-methyl-3-propan-2-ylbenzoate.
Chemical Property Profile of RefChem:367644
Property Insights of RefChem:367644
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:367644. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:367644. Following Lipinski's Rule of Five, RefChem:367644 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:367644?
The CAS number of RefChem:367644 is 53206-81-8.
What is the molecular formula of RefChem:367644?
The molecular formula of RefChem:367644 is C18H25NO4.
What is the molecular weight of RefChem:367644?
The molecular weight of RefChem:367644 is 319.18 g/mol.
Where can I buy RefChem:367644?
You can request a quote for RefChem:367644 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:367644?
Yes, KEHONG BIO provides custom synthesis services for RefChem:367644 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.