1,3-Diethoxybenzene
TL;DR: 1,3-Diethoxybenzene (CAS 2049-73-2) is a chemical compound with molecular formula C10H14O2 and molecular weight 166.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diethoxybenzene
Also Known As: 1,3-Diethoxybenzene, m-Diethoxybenzene, Benzene, 1,3-diethoxy-, Resorcinol Diethyl Ether, 2,4-diethoxybenzene
| Molecular Formula | C10H14O2 |
|---|---|
| Molecular Weight | 166.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 166.09938 |
| Heavy Atoms | 12 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 2049-73-2 |
|---|---|
| SMILES | CCOC1=CC(=CC=C1)OCC |
| InChIKey | MKGFYMKFBCWNCP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Diethoxybenzene (CAS 2049-73-2), with molecular formula C10H14O2 and molecular weight 166.10 g/mol. IUPAC: 1,3-diethoxybenzene.
Chemical Property Profile of 1,3-Diethoxybenzene
Property Insights of 1,3-Diethoxybenzene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diethoxybenzene. With a topological polar surface area (TPSA) of 18.5 Ų, 1,3-Diethoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Diethoxybenzene 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 1,3-Diethoxybenzene?
The CAS number of 1,3-Diethoxybenzene is 2049-73-2.
What is the molecular formula of 1,3-Diethoxybenzene?
The molecular formula of 1,3-Diethoxybenzene is C10H14O2.
What is the molecular weight of 1,3-Diethoxybenzene?
The molecular weight of 1,3-Diethoxybenzene is 166.10 g/mol.
Where can I buy 1,3-Diethoxybenzene?
You can request a quote for 1,3-Diethoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diethoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diethoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.