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CAS 674304-28-0 4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid molecular structure lightbox
CAS RN: 674304-28-0

4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260626 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS674304-28-0
  • Purity/Analytical Methods: >99.0%
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674304-28-0 / 4-methyl-3-oxo-1,4-benzoxazine-7-carboxylic acid

Standard CAS: 674304-28-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
674304-28-0
Multi CAS
No
Molecular Formula
C10H9NO4
Molecular Weight
207.180000
Exact Mass
207.053158
InChI
InChI=1S/C10H9NO4/c1-11-7-3-2-6(10(13)14)4-8(7)15-5-9(11)12/h2-4H,5H2,1H3,(H,13,14)
InChIKey
DWACAMRHWXPDGA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.31
TPSA
66.84

LogP / Solubility

WLOGP
0.74
MLOGP
0.65
XLogP3
0.6
Consensus LogP
0.66
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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