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CAS 83507-02-2 6,7,8,9-tetrahydro-7-methyl-5H-dibenz[b,i][1,6]oxazecine molecular structure lightbox
CAS RN: 83507-02-2

6,7,8,9-tetrahydro-7-methyl-5H-dibenz[b,i][1,6]oxazecine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250902 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS83507-02-2
  • Purity/Analytical Methods: >99.0%
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83507-02-2 / 11-methyl-2-oxa-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,14,16-hexaene

Standard CAS: 83507-02-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
83507-02-2
Multi CAS
Yes
Molecular Formula
C17H19NO
Molecular Weight
253.340000
Exact Mass
253.146664
InChI
InChI=1S/C17H19NO/c1-18-12-10-14-6-2-4-8-16(14)19-17-9-5-3-7-15(17)11-13-18/h2-9H,10-13H2,1H3
InChIKey
NREYMNFZCFNECP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.29
H-bond acceptors
2
Molar refractivity
77.86
TPSA
12.47

LogP / Solubility

WLOGP
3.51
MLOGP
3.09
XLogP3
3.8
Consensus LogP
3.47
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.22
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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