1,2-Phenylenedimethanol, 3,4-methylenedioxy-
TL;DR: 1,2-Phenylenedimethanol, 3,4-methylenedioxy- (CAS 1077-75-4) is a chemical compound with molecular formula C9H10O4 and molecular weight 182.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(hydroxymethyl)-1,3-benzodioxol-5-yl]methanol
Also Known As: 1,3-Benzodioxole-4,5-dimethanol, 1,2-Phenylenedimethanol, 3,4-methylenedioxy-, (4-Hydroxymethy-1,3-benzodioxol-5-yl)methanol, 1,2-Phenylenedimethanol, 3,4--methylenedioxy-, (4-Hydroxymethyl-1,3-benzodioxol-5-yl)methanol
| Molecular Formula | C9H10O4 |
|---|---|
| Molecular Weight | 182.06 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.0579 |
| Heavy Atoms | 13 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 1077-75-4 |
|---|---|
| SMILES | C1OC2=C(O1)C(=C(C=C2)CO)CO |
| InChIKey | JDFPCKSJKUAXEC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Phenylenedimethanol, 3,4-methylenedioxy- (CAS 1077-75-4), with molecular formula C9H10O4 and molecular weight 182.06 g/mol. IUPAC: [4-(hydroxymethyl)-1,3-benzodioxol-5-yl]methanol.
Chemical Property Profile of 1,2-Phenylenedimethanol, 3,4-methylenedioxy-
Property Insights of 1,2-Phenylenedimethanol, 3,4-methylenedioxy-
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Phenylenedimethanol, 3,4-methylenedioxy-. With a topological polar surface area (TPSA) of 58.9 Ų, 1,2-Phenylenedimethanol, 3,4-methylenedioxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Phenylenedimethanol, 3,4-methylenedioxy- 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 1,2-Phenylenedimethanol, 3,4-methylenedioxy-?
The CAS number of 1,2-Phenylenedimethanol, 3,4-methylenedioxy- is 1077-75-4.
What is the molecular formula of 1,2-Phenylenedimethanol, 3,4-methylenedioxy-?
The molecular formula of 1,2-Phenylenedimethanol, 3,4-methylenedioxy- is C9H10O4.
What is the molecular weight of 1,2-Phenylenedimethanol, 3,4-methylenedioxy-?
The molecular weight of 1,2-Phenylenedimethanol, 3,4-methylenedioxy- is 182.06 g/mol.
Where can I buy 1,2-Phenylenedimethanol, 3,4-methylenedioxy-?
You can request a quote for 1,2-Phenylenedimethanol, 3,4-methylenedioxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Phenylenedimethanol, 3,4-methylenedioxy-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Phenylenedimethanol, 3,4-methylenedioxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.