Heliotropine butane-2,3-diol acetal
TL;DR: Heliotropine butane-2,3-diol acetal (CAS 72998-92-6) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4,5-dimethyl-1,3-dioxolan-2-yl)-1,3-benzodioxole
Also Known As: Heliotropine butane-2,3-diol acetal, piperonal butane-2,3-diol acetal, heliotropin butane-2,3-diol acetal, heliotropin-2,3-butane diol acetal, 5-(4,5-dimethyl-1,3-dioxolan-2-yl)-1,3-benzodioxole
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 36.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 72998-92-6 |
|---|---|
| SMILES | CC1C(OC(O1)C2=CC3=C(C=C2)OCO3)C |
| InChIKey | DBRCQKKPPIQWBT-UHFFFAOYSA-N |
Product Overview
Heliotropine butane-2,3-diol acetal (CAS 72998-92-6), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: 5-(4,5-dimethyl-1,3-dioxolan-2-yl)-1,3-benzodioxole.
Chemical Property Profile of Heliotropine butane-2,3-diol acetal
Property Insights of Heliotropine butane-2,3-diol acetal
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heliotropine butane-2,3-diol acetal. With a topological polar surface area (TPSA) of 36.9 Ų, Heliotropine butane-2,3-diol acetal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heliotropine butane-2,3-diol acetal has 0 hydrogen bond donor(s) and 4 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 Heliotropine butane-2,3-diol acetal?
The CAS number of Heliotropine butane-2,3-diol acetal is 72998-92-6.
What is the molecular formula of Heliotropine butane-2,3-diol acetal?
The molecular formula of Heliotropine butane-2,3-diol acetal is C12H14O4.
What is the molecular weight of Heliotropine butane-2,3-diol acetal?
The molecular weight of Heliotropine butane-2,3-diol acetal is 222.09 g/mol.
Where can I buy Heliotropine butane-2,3-diol acetal?
You can request a quote for Heliotropine butane-2,3-diol acetal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heliotropine butane-2,3-diol acetal?
Yes, KEHONG BIO provides custom synthesis services for Heliotropine butane-2,3-diol acetal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.