CAS RN: 27510-33-4

O-Methylpallidine【Corydalis】

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Batchno.20250407 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS27510-33-4
  • Purity/Analytical Methods: >99.0%
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27510-33-4 / (10S)-4,6,16-trimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,14(18),15-hexaene

Standard CAS: 27510-33-4 Multi CAS: Yes

Basic Information

CAS
27510-33-4
Multi CAS
Yes
Molecular Formula
C20H23NO4
Molecular Weight
341.400000
Exact Mass
341.162708
InChI
InChI=1S/C20H23NO4/c1-21-6-5-12-7-14(22-2)10-17-19(12)16(21)9-13-8-15(23-3)11-18(24-4)20(13)25-17/h7-8,10-11,16H,5-6,9H2,1-4H3/t16-/m0/s1
InChIKey
KXSQCYVMSJZRRS-INIZCTEOSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
95.39
TPSA
40.16

LogP / Solubility

WLOGP
3.59
MLOGP
3.18
XLogP3
3.3
Consensus LogP
3.36
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.22
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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