CAS RN: 4312-32-7

(-)-STYLOPINE

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4 package records2 with current stock1 grade group
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  • Product code: starshine_CAS4312-32-7
  • Purity/Analytical Methods: >99.0%
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4312-32-7 / 5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-2,4(8),9,15(23),16(20),21-hexaene

Standard CAS: 4312-32-7 Multi CAS: Yes

Basic Information

CAS
4312-32-7
Multi CAS
Yes
Molecular Formula
C19H17NO4
Molecular Weight
323.300000
Exact Mass
323.115758
InChI
InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2
InChIKey
UXYJCYXWJGAKQY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.37
H-bond acceptors
5
Molar refractivity
85.69
TPSA
40.16

LogP / Solubility

WLOGP
2.8
MLOGP
2.48
XLogP3
3
Consensus LogP
2.76
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.09
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5

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