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CAS 6638-04-6 3,4-dihydro-3-methyl-2H-1,3-benzoxazine molecular structure lightbox
CAS RN: 6638-04-6

3,4-dihydro-3-methyl-2H-1,3-benzoxazine

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260502 100mg In stock Shanghai Inquiry
Batchno.20260521 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20250808 1g In stock Shanghai Inquiry
Batchno.20260325 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS6638-04-6
  • Purity/Analytical Methods: >99.0%
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6638-04-6 / 3-methyl-2,4-dihydro-1,3-benzoxazine

Standard CAS: 6638-04-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6638-04-6
Multi CAS
Yes
Molecular Formula
C9H11NO
Molecular Weight
149.190000
Exact Mass
149.084064
InChI
InChI=1S/C9H11NO/c1-10-6-8-4-2-3-5-9(8)11-7-10/h2-5H,6-7H2,1H3
InChIKey
ZZLHZRRZJWMQOL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
2
Molar refractivity
43.4
TPSA
12.47

LogP / Solubility

WLOGP
1.47
MLOGP
1.29
XLogP3
1.6
Consensus LogP
1.45
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
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)
-2.59

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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