Vanilol
TL;DR: Vanilol (CAS 78100-57-9) is a chemical compound with molecular formula C15H23NO5 and molecular weight 297.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxybenzoate
Also Known As: Vanilol, methyl 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxybenzoate, 1-(2-Methoxy-4-methoxycarbonyl-1-phenoxy)-3-isopropylamino-2-propanol, 4-(3-(Isopropylamino)-2-hydroxypropoxy)-3-methoxy-benzoic acid methyl ester, Methyl 4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}-3-methoxybenzoate
| Molecular Formula | C15H23NO5 |
|---|---|
| Molecular Weight | 297.16 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 77.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 297.15762 |
| Heavy Atoms | 21 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 78100-57-9 |
|---|---|
| SMILES | CC(C)NCC(COC1=C(C=C(C=C1)C(=O)OC)OC)O |
| InChIKey | MKDCAESMSRQHIN-UHFFFAOYSA-N |
Product Overview
Vanilol (CAS 78100-57-9), with molecular formula C15H23NO5 and molecular weight 297.16 g/mol. IUPAC: methyl 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxybenzoate.
Chemical Property Profile of Vanilol
Property Insights of Vanilol
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vanilol. The TPSA of 77.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Vanilol. Following Lipinski's Rule of Five, Vanilol has 2 hydrogen bond donor(s) and 6 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 Vanilol?
The CAS number of Vanilol is 78100-57-9.
What is the molecular formula of Vanilol?
The molecular formula of Vanilol is C15H23NO5.
What is the molecular weight of Vanilol?
The molecular weight of Vanilol is 297.16 g/mol.
Where can I buy Vanilol?
You can request a quote for Vanilol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vanilol?
Yes, KEHONG BIO provides custom synthesis services for Vanilol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.