methanone structure](/static/products/4780/478043-17-3.webp)
[3-(tert-butyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl](2-chlorophenyl)methanone
TL;DR: [3-(tert-butyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl](2-chlorophenyl)methanone (CAS 478043-17-3) is a chemical compound with molecular formula C19H20ClNO2 and molecular weight 329.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-tert-butyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-chlorophenyl)methanone
Also Known As: [3-(tert-butyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl](2-chlorophenyl)methanone, (3-tert-butyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-chlorophenyl)methanone, 3-tert-butyl-4-(2-chlorobenzoyl)-3,4-dihydro-2H-1,4-benzoxazine
| Molecular Formula | C19H20ClNO2 |
|---|---|
| Molecular Weight | 329.12 g/mol |
| LogP | 4.7939 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 329.11826 |
| Heavy Atoms | 23 |
| Complexity | 736.14465 |
Chemical Identifiers
| CAS Number | 478043-17-3 |
|---|---|
| SMILES | CC(C)(C)C1COC2=CC=CC=C2N1C(=O)C3=CC=CC=C3Cl |
Product Overview
[3-(tert-butyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl](2-chlorophenyl)methanone (CAS 478043-17-3), with molecular formula C19H20ClNO2 and molecular weight 329.12 g/mol. IUPAC: (3-tert-butyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-chlorophenyl)methanone.
Chemical Property Profile of [3-(tert-butyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl](2-chlorophenyl)methanone
Property Insights of [3-(tert-butyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl](2-chlorophenyl)methanone
The XLogP value of 4.7939 indicates that [3-(tert-butyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl](2-chlorophenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, [3-(tert-butyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl](2-chlorophenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [3-(tert-butyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl](2-chlorophenyl)methanone 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 [3-(tert-butyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl](2-chlorophenyl)methanone?
The CAS number of [3-(tert-butyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl](2-chlorophenyl)methanone is 478043-17-3.
What is the molecular formula of [3-(tert-butyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl](2-chlorophenyl)methanone?
The molecular formula of [3-(tert-butyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl](2-chlorophenyl)methanone is C19H20ClNO2.
What is the molecular weight of [3-(tert-butyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl](2-chlorophenyl)methanone?
The molecular weight of [3-(tert-butyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl](2-chlorophenyl)methanone is 329.12 g/mol.
Where can I buy [3-(tert-butyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl](2-chlorophenyl)methanone?
You can request a quote for [3-(tert-butyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl](2-chlorophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-(tert-butyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl](2-chlorophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for [3-(tert-butyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl](2-chlorophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.