2-(4-ethoxy-3-methoxyphenyl)-4,4-diethyl-1,4-dihydro-2H-3,1-benzoxazine
TL;DR: 2-(4-ethoxy-3-methoxyphenyl)-4,4-diethyl-1,4-dihydro-2H-3,1-benzoxazine (CAS 5776-41-0) is a chemical compound with molecular formula C21H27NO3 and molecular weight 341.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-ethoxy-3-methoxyphenyl)-4,4-diethyl-1,2-dihydro-3,1-benzoxazine
Also Known As: 2-(4-ethoxy-3-methoxyphenyl)-4,4-diethyl-1,4-dihydro-2H-3,1-benzoxazine, A2855/0120414, 2-(4-ethoxy-3-methoxyphenyl)-4,4-diethyl-1,2-dihydro-3,1-benzoxazine, 2-(4-ETHOXY-3-METHOXYPHENYL)-4,4-DIETHYL-2,4-DIHYDRO-1H-3,1-BENZOXAZINE, 4-(4,4-diethyl(1H,2H-benzo[d]1,3-oxazin-2-yl))-1-ethoxy-2-methoxybenzene
| Molecular Formula | C21H27NO3 |
|---|---|
| Molecular Weight | 341.20 g/mol |
| LogP | 5.2501 |
| Topological Polar Surface Area | 39.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 341.1991 |
| Heavy Atoms | 25 |
| Complexity | 724.8311 |
Chemical Identifiers
| CAS Number | 5776-41-0 |
|---|---|
| SMILES | CCC1(C2=CC=CC=C2NC(O1)C3=CC(=C(C=C3)OCC)OC)CC |
Product Overview
2-(4-ethoxy-3-methoxyphenyl)-4,4-diethyl-1,4-dihydro-2H-3,1-benzoxazine (CAS 5776-41-0), with molecular formula C21H27NO3 and molecular weight 341.20 g/mol. IUPAC: 2-(4-ethoxy-3-methoxyphenyl)-4,4-diethyl-1,2-dihydro-3,1-benzoxazine.
Chemical Property Profile of 2-(4-ethoxy-3-methoxyphenyl)-4,4-diethyl-1,4-dihydro-2H-3,1-benzoxazine
Property Insights of 2-(4-ethoxy-3-methoxyphenyl)-4,4-diethyl-1,4-dihydro-2H-3,1-benzoxazine
The XLogP value of 5.2501 indicates that 2-(4-ethoxy-3-methoxyphenyl)-4,4-diethyl-1,4-dihydro-2H-3,1-benzoxazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.72 Ų, 2-(4-ethoxy-3-methoxyphenyl)-4,4-diethyl-1,4-dihydro-2H-3,1-benzoxazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-ethoxy-3-methoxyphenyl)-4,4-diethyl-1,4-dihydro-2H-3,1-benzoxazine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-ethoxy-3-methoxyphenyl)-4,4-diethyl-1,4-dihydro-2H-3,1-benzoxazine?
The CAS number of 2-(4-ethoxy-3-methoxyphenyl)-4,4-diethyl-1,4-dihydro-2H-3,1-benzoxazine is 5776-41-0.
What is the molecular formula of 2-(4-ethoxy-3-methoxyphenyl)-4,4-diethyl-1,4-dihydro-2H-3,1-benzoxazine?
The molecular formula of 2-(4-ethoxy-3-methoxyphenyl)-4,4-diethyl-1,4-dihydro-2H-3,1-benzoxazine is C21H27NO3.
What is the molecular weight of 2-(4-ethoxy-3-methoxyphenyl)-4,4-diethyl-1,4-dihydro-2H-3,1-benzoxazine?
The molecular weight of 2-(4-ethoxy-3-methoxyphenyl)-4,4-diethyl-1,4-dihydro-2H-3,1-benzoxazine is 341.20 g/mol.
Where can I buy 2-(4-ethoxy-3-methoxyphenyl)-4,4-diethyl-1,4-dihydro-2H-3,1-benzoxazine?
You can request a quote for 2-(4-ethoxy-3-methoxyphenyl)-4,4-diethyl-1,4-dihydro-2H-3,1-benzoxazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-ethoxy-3-methoxyphenyl)-4,4-diethyl-1,4-dihydro-2H-3,1-benzoxazine?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-ethoxy-3-methoxyphenyl)-4,4-diethyl-1,4-dihydro-2H-3,1-benzoxazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.