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CAS 39026-92-1 (4S)-4-Ethyl-4-hydroxy-10-methoxy-1H-pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione molecular structure lightbox
CAS RN: 39026-92-1

(4S)-4-Ethyl-4-hydroxy-10-methoxy-1H-pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione

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Batchno.20251221 10mg Out of stock Inquiry
  • Product code: starshine_CAS39026-92-1
  • Purity/Analytical Methods: >99.0%
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39026-92-1 / (19S)-19-ethyl-19-hydroxy-8-methoxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione

Standard CAS: 39026-92-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
39026-92-1
Multi CAS
Yes
Molecular Formula
C21H18N2O5
Molecular Weight
378.400000
Exact Mass
378.121572
InChI
InChI=1S/C21H18N2O5/c1-3-21(26)14-8-16-18-11(7-12-15(22-18)5-4-6-17(12)27-2)9-23(16)19(24)13(14)10-28-20(21)25/h4-8,26H,3,9-10H2,1-2H3/t21-/m0/s1
InChIKey
XVMZDZFTCKLZTF-NRFANRHFSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
16
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
1
Molar refractivity
101.08
TPSA
90.65

LogP / Solubility

WLOGP
2.09
MLOGP
1.86
XLogP3
1
Consensus LogP
1.65
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.09
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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