1-(Diethoxymethyl)-4-(propan-2-yl)benzene
TL;DR: 1-(Diethoxymethyl)-4-(propan-2-yl)benzene (CAS 40134-18-7) is a chemical compound with molecular formula C14H22O2 and molecular weight 222.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(diethoxymethyl)-4-propan-2-ylbenzene
Also Known As: starbld0022750, 1-Diethoxymethyl-4-isopropylbenzene, Cuminaldehyd-diaethylacetal, 1-(diethoxymethyl)-4-(propan-2-yl)benzene, 1-(diethoxymethyl)-4-isopropylbenzene
| Molecular Formula | C14H22O2 |
|---|---|
| Molecular Weight | 222.16 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 222.16199 |
| Heavy Atoms | 16 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 40134-18-7 |
|---|---|
| SMILES | CCOC(C1=CC=C(C=C1)C(C)C)OCC |
| InChIKey | GGYICDQKJLQSFI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Diethoxymethyl)-4-(propan-2-yl)benzene (CAS 40134-18-7), with molecular formula C14H22O2 and molecular weight 222.16 g/mol. IUPAC: 1-(diethoxymethyl)-4-propan-2-ylbenzene.
Chemical Property Profile of 1-(Diethoxymethyl)-4-(propan-2-yl)benzene
Property Insights of 1-(Diethoxymethyl)-4-(propan-2-yl)benzene
The XLogP value of 3.4 indicates that 1-(Diethoxymethyl)-4-(propan-2-yl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 1-(Diethoxymethyl)-4-(propan-2-yl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Diethoxymethyl)-4-(propan-2-yl)benzene has 0 hydrogen bond donor(s) and 2 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-(Diethoxymethyl)-4-(propan-2-yl)benzene?
The CAS number of 1-(Diethoxymethyl)-4-(propan-2-yl)benzene is 40134-18-7.
What is the molecular formula of 1-(Diethoxymethyl)-4-(propan-2-yl)benzene?
The molecular formula of 1-(Diethoxymethyl)-4-(propan-2-yl)benzene is C14H22O2.
What is the molecular weight of 1-(Diethoxymethyl)-4-(propan-2-yl)benzene?
The molecular weight of 1-(Diethoxymethyl)-4-(propan-2-yl)benzene is 222.16 g/mol.
Where can I buy 1-(Diethoxymethyl)-4-(propan-2-yl)benzene?
You can request a quote for 1-(Diethoxymethyl)-4-(propan-2-yl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Diethoxymethyl)-4-(propan-2-yl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Diethoxymethyl)-4-(propan-2-yl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.