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CAS 14558-49-7 1,3-oxazinane molecular structure lightbox
CAS RN: 14558-49-7

1,3-oxazinane

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260131 100mg In stock Shanghai Inquiry
Batchno.20251111 1g In stock Shanghai, Chengdu Inquiry
Batchno.20260304 250mg In stock Shanghai Inquiry
Batchno.20251216 5g Out of stock Inquiry
  • Product code: starshine_CAS14558-49-7
  • Purity/Analytical Methods: >99.0%
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14558-49-7 / 1,3-oxazinane

Standard CAS: 14558-49-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
14558-49-7
Multi CAS
No
Molecular Formula
C4H9NO
Molecular Weight
87.120000
Exact Mass
87.068414
SMILES
C1CNCOC1
InChI
InChI=1S/C4H9NO/c1-2-5-4-6-3-1/h5H,1-4H2
InChIKey
LQPOOAJESJYDLS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
23.44
TPSA
21.26

LogP / Solubility

WLOGP
-0.05
MLOGP
-0.05
XLogP3
-0.1
Consensus LogP
-0.07
Log S (ESOL)
-0.35
Class (ESOL)
Very soluble
Log S (Ali)
-0.24
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.19
Class (SILICOS-IT)
Very 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)
-3.28

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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