2',3'-Dihydro-2',3'-dihydroxysafrole
TL;DR: 2',3'-Dihydro-2',3'-dihydroxysafrole (CAS 7154-01-0) is a chemical compound with molecular formula C10H12O4 and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)propane-1,2-diol
Also Known As: SAFROLGLYCOL, 1,2-Propanediol, 3-(1,3-benzodioxol-5-yl)-, Spectrum2_000683, Spectrum3_000113, Spectrum4_000935
| Molecular Formula | C10H12O4 |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.07356 |
| Heavy Atoms | 14 |
| Complexity | 185.0 |
| Melting Point | 79 °C |
Chemical Identifiers
| CAS Number | 7154-01-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CC(CO)O |
| InChIKey | FYDVPEVHFUBOJG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2',3'-Dihydro-2',3'-dihydroxysafrole (CAS 7154-01-0), with molecular formula C10H12O4 and molecular weight 196.07 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)propane-1,2-diol.
Chemical Property Profile of 2',3'-Dihydro-2',3'-dihydroxysafrole
Property Insights of 2',3'-Dihydro-2',3'-dihydroxysafrole
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2',3'-Dihydro-2',3'-dihydroxysafrole. With a topological polar surface area (TPSA) of 58.9 Ų, 2',3'-Dihydro-2',3'-dihydroxysafrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2',3'-Dihydro-2',3'-dihydroxysafrole has 2 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 2',3'-Dihydro-2',3'-dihydroxysafrole?
The CAS number of 2',3'-Dihydro-2',3'-dihydroxysafrole is 7154-01-0.
What is the molecular formula of 2',3'-Dihydro-2',3'-dihydroxysafrole?
The molecular formula of 2',3'-Dihydro-2',3'-dihydroxysafrole is C10H12O4.
What is the molecular weight of 2',3'-Dihydro-2',3'-dihydroxysafrole?
The molecular weight of 2',3'-Dihydro-2',3'-dihydroxysafrole is 196.07 g/mol.
Where can I buy 2',3'-Dihydro-2',3'-dihydroxysafrole?
You can request a quote for 2',3'-Dihydro-2',3'-dihydroxysafrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2',3'-Dihydro-2',3'-dihydroxysafrole?
Yes, KEHONG BIO provides custom synthesis services for 2',3'-Dihydro-2',3'-dihydroxysafrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.