1,3-Benzodioxole-5-ethanol, alpha-methyl-
TL;DR: 1,3-Benzodioxole-5-ethanol, alpha-methyl- (CAS 6974-61-4) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)propan-2-ol
Also Known As: 1-(Benzo[d][1,3]dioxol-5-yl)propan-2-ol, p-Isopropylcinnamaldehyde, 1-(2H-1,3-benzodioxol-5-yl)propan-2-ol, 1-(1,3-benzodioxol-5-yl)propan-2-ol, 1,3-Benzodioxole-5-ethanol, a-methyl-
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 6974-61-4 |
|---|---|
| SMILES | CC(CC1=CC2=C(C=C1)OCO2)O |
| InChIKey | RVMKZYKJYMJYDG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzodioxole-5-ethanol, alpha-methyl- (CAS 6974-61-4), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)propan-2-ol.
Chemical Property Profile of 1,3-Benzodioxole-5-ethanol, alpha-methyl-
Property Insights of 1,3-Benzodioxole-5-ethanol, alpha-methyl-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole-5-ethanol, alpha-methyl-. With a topological polar surface area (TPSA) of 38.7 Ų, 1,3-Benzodioxole-5-ethanol, alpha-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxole-5-ethanol, alpha-methyl- has 1 hydrogen bond donor(s) and 3 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 1,3-Benzodioxole-5-ethanol, alpha-methyl-?
The CAS number of 1,3-Benzodioxole-5-ethanol, alpha-methyl- is 6974-61-4.
What is the molecular formula of 1,3-Benzodioxole-5-ethanol, alpha-methyl-?
The molecular formula of 1,3-Benzodioxole-5-ethanol, alpha-methyl- is C10H12O3.
What is the molecular weight of 1,3-Benzodioxole-5-ethanol, alpha-methyl-?
The molecular weight of 1,3-Benzodioxole-5-ethanol, alpha-methyl- is 180.08 g/mol.
Where can I buy 1,3-Benzodioxole-5-ethanol, alpha-methyl-?
You can request a quote for 1,3-Benzodioxole-5-ethanol, alpha-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxole-5-ethanol, alpha-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole-5-ethanol, alpha-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.