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CAS 1214932-35-0 tert-Butyl 6-iodo-2,3-dihydro-1H-pyrido-[2,3-b][1,4]oxazine-1-carboxylate molecular structure lightbox
CAS RN: 1214932-35-0

tert-Butyl 6-iodo-2,3-dihydro-1H-pyrido-[2,3-b][1,4]oxazine-1-carboxylate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250906 50mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1214932-35-0
  • Purity/Analytical Methods: >99.0%
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1214932-35-0 / tert-butyl 6-iodo-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate

Standard CAS: 1214932-35-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1214932-35-0
Multi CAS
No
Molecular Formula
C12H15IN2O3
Molecular Weight
362.160000
Exact Mass
362.012740
SMILES
CC(C)(C)OC(=O)N1CCOC2=C1C=CC(=N2)I
InChI
InChI=1S/C12H15IN2O3/c1-12(2,3)18-11(16)15-6-7-17-10-8(15)4-5-9(13)14-10/h4-5H,6-7H2,1-3H3
InChIKey
WUIDSMOCKFSZBA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
76.03
TPSA
51.66

LogP / Solubility

WLOGP
2.82
MLOGP
2.5
XLogP3
2.4
Consensus LogP
2.57
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.35
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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