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CAS 532391-89-2 4-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-7-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 532391-89-2

4-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-7-CARBOXYLIC ACID

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250508 100mg In stock Shanghai Inquiry
Batchno.20250201 1g In stock Shanghai Inquiry
Batchno.20250110 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS532391-89-2
  • Purity/Analytical Methods: >99.0%
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532391-89-2 / 4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid

Standard CAS: 532391-89-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
532391-89-2
Multi CAS
No
Molecular Formula
C10H11NO3
Molecular Weight
193.200000
Exact Mass
193.073893
InChI
InChI=1S/C10H11NO3/c1-11-4-5-14-9-6-7(10(12)13)2-3-8(9)11/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKey
XWYHWMDBIRZPFG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.17
TPSA
49.77

LogP / Solubility

WLOGP
1.21
MLOGP
1.07
XLogP3
1.3
Consensus LogP
1.19
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.04
Class (SILICOS-IT)
Moderately 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)
-3.04

Drug-likeness / Medicinal Chemistry

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

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