1,2-Propanediol, 1-(1,3-benzodioxol-5-yl)-
TL;DR: 1,2-Propanediol, 1-(1,3-benzodioxol-5-yl)- (CAS 62512-79-2) 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.
1-(1,3-benzodioxol-5-yl)propane-1,2-diol
Also Known As: Isosafrole glycol, 1,2-Propanediol, 1-(1,3-benzodioxol-5-yl)-, 1-(1,3-benzodioxol-5-yl)propane-1,2-diol, 1-(3,4-Methylenedioxyphenyl)-1,2-propanediol, 1-(2H-1,3-BENZODIOXOL-5-YL)PROPANE-1,2-DIOL
| Molecular Formula | C10H12O4 |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 0.8295 |
| Topological Polar Surface Area | 58.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.07356 |
| Heavy Atoms | 14 |
| Complexity | 334.89392 |
Chemical Identifiers
| CAS Number | 62512-79-2 |
|---|---|
| SMILES | CC(C(C1=CC2=C(C=C1)OCO2)O)O |
Product Overview
1,2-Propanediol, 1-(1,3-benzodioxol-5-yl)- (CAS 62512-79-2), with molecular formula C10H12O4 and molecular weight 196.07 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)propane-1,2-diol.
Chemical Property Profile of 1,2-Propanediol, 1-(1,3-benzodioxol-5-yl)-
Property Insights of 1,2-Propanediol, 1-(1,3-benzodioxol-5-yl)-
The XLogP value of 0.8295 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Propanediol, 1-(1,3-benzodioxol-5-yl)-. With a topological polar surface area (TPSA) of 58.92 Ų, 1,2-Propanediol, 1-(1,3-benzodioxol-5-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Propanediol, 1-(1,3-benzodioxol-5-yl)- 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-Propanediol, 1-(1,3-benzodioxol-5-yl)-?
The CAS number of 1,2-Propanediol, 1-(1,3-benzodioxol-5-yl)- is 62512-79-2.
What is the molecular formula of 1,2-Propanediol, 1-(1,3-benzodioxol-5-yl)-?
The molecular formula of 1,2-Propanediol, 1-(1,3-benzodioxol-5-yl)- is C10H12O4.
What is the molecular weight of 1,2-Propanediol, 1-(1,3-benzodioxol-5-yl)-?
The molecular weight of 1,2-Propanediol, 1-(1,3-benzodioxol-5-yl)- is 196.07 g/mol.
Where can I buy 1,2-Propanediol, 1-(1,3-benzodioxol-5-yl)-?
You can request a quote for 1,2-Propanediol, 1-(1,3-benzodioxol-5-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Propanediol, 1-(1,3-benzodioxol-5-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Propanediol, 1-(1,3-benzodioxol-5-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.