4,4-Diethyl-2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazine
TL;DR: 4,4-Diethyl-2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazine (CAS 442872-00-6) is a chemical compound with molecular formula C17H20N2O and molecular weight 268.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-diethyl-2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazine
Also Known As: TimTec1_003115, 4,4-diethyl-2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazine, BRD-A63666752-001-01-7, 4,4-diethyl-2-(pyridin-3-yl)-1,4-dihydro-2H-3,1-benzoxazine, 4,4-diethyl-2-(3-pyridyl)-1H,2H-benzo[d]1,3-oxazine
| Molecular Formula | C17H20N2O |
|---|---|
| Molecular Weight | 268.16 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 34.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.15756 |
| Heavy Atoms | 20 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 442872-00-6 |
|---|---|
| SMILES | CCC1(C2=CC=CC=C2NC(O1)C3=CN=CC=C3)CC |
| InChIKey | JCIABXDKKQKVHT-UHFFFAOYSA-N |
Product Overview
4,4-Diethyl-2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazine (CAS 442872-00-6), with molecular formula C17H20N2O and molecular weight 268.16 g/mol. IUPAC: 4,4-diethyl-2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazine.
Chemical Property Profile of 4,4-Diethyl-2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazine
Property Insights of 4,4-Diethyl-2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazine
The XLogP value of 3.5 indicates that 4,4-Diethyl-2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.2 Ų, 4,4-Diethyl-2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Diethyl-2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazine 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 4,4-Diethyl-2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazine?
The CAS number of 4,4-Diethyl-2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazine is 442872-00-6.
What is the molecular formula of 4,4-Diethyl-2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazine?
The molecular formula of 4,4-Diethyl-2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazine is C17H20N2O.
What is the molecular weight of 4,4-Diethyl-2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazine?
The molecular weight of 4,4-Diethyl-2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazine is 268.16 g/mol.
Where can I buy 4,4-Diethyl-2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazine?
You can request a quote for 4,4-Diethyl-2-pyridin-3-yl-1,2-dihydro-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 4,4-Diethyl-2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazine?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Diethyl-2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.