Vanillin 3-(l-menthoxy)propane-1,2-diol acetal
TL;DR: Vanillin 3-(l-menthoxy)propane-1,2-diol acetal (CAS 180964-47-0) is a chemical compound with molecular formula C21H32O5 and molecular weight 364.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-4-[4-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-1,3-dioxolan-2-yl]phenol
Also Known As: FEMA No. 3904, Vanillin 3-(L-menthoxy)propane-1,2-diol acetal, Vanillin 3-((-)-menthoxy)(+/-)-propane-1,2-diol acetal, J2.175.344K, 2-Methoxy-4-(4-(((5-methyl-2-(1-methylethyl)cyclohexyl)oxy)methyl)-1,3-dioxolan-2-yl)-phenol
| Molecular Formula | C21H32O5 |
|---|---|
| Molecular Weight | 364.22 g/mol |
| LogP | 4.2922 |
| Topological Polar Surface Area | 57.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 364.22498 |
| Heavy Atoms | 26 |
| Complexity | 587.7642 |
Chemical Identifiers
| CAS Number | 180964-47-0 |
|---|---|
| SMILES | C[C@@H]1CC[C@H]([C@@H](C1)OCC2COC(O2)C3=CC(=C(C=C3)O)OC)C(C)C |
Product Overview
Vanillin 3-(l-menthoxy)propane-1,2-diol acetal (CAS 180964-47-0), with molecular formula C21H32O5 and molecular weight 364.22 g/mol. IUPAC: 2-methoxy-4-[4-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-1,3-dioxolan-2-yl]phenol.
Chemical Property Profile of Vanillin 3-(l-menthoxy)propane-1,2-diol acetal
Property Insights of Vanillin 3-(l-menthoxy)propane-1,2-diol acetal
The XLogP value of 4.2922 indicates that Vanillin 3-(l-menthoxy)propane-1,2-diol acetal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.15 Ų, Vanillin 3-(l-menthoxy)propane-1,2-diol acetal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Vanillin 3-(l-menthoxy)propane-1,2-diol acetal 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 Vanillin 3-(l-menthoxy)propane-1,2-diol acetal?
The CAS number of Vanillin 3-(l-menthoxy)propane-1,2-diol acetal is 180964-47-0.
What is the molecular formula of Vanillin 3-(l-menthoxy)propane-1,2-diol acetal?
The molecular formula of Vanillin 3-(l-menthoxy)propane-1,2-diol acetal is C21H32O5.
What is the molecular weight of Vanillin 3-(l-menthoxy)propane-1,2-diol acetal?
The molecular weight of Vanillin 3-(l-menthoxy)propane-1,2-diol acetal is 364.22 g/mol.
Where can I buy Vanillin 3-(l-menthoxy)propane-1,2-diol acetal?
You can request a quote for Vanillin 3-(l-menthoxy)propane-1,2-diol acetal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vanillin 3-(l-menthoxy)propane-1,2-diol acetal?
Yes, KEHONG BIO provides custom synthesis services for Vanillin 3-(l-menthoxy)propane-1,2-diol acetal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.