CAS RN: 7336-40-5

Colchicine, N-methyl-

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  • Product code: starshine_CAS7336-40-5
  • Purity/Analytical Methods: >99.0%
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7336-40-5 / N-methyl-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide

Standard CAS: 7336-40-5 Multi CAS: Yes

Basic Information

CAS
7336-40-5
Multi CAS
Yes
Molecular Formula
C23H27NO6
Molecular Weight
413.500000
Exact Mass
413.183838
InChI
InChI=1S/C23H27NO6/c1-13(25)24(2)17-9-7-14-11-20(28-4)22(29-5)23(30-6)21(14)15-8-10-19(27-3)18(26)12-16(15)17/h8,10-12,17H,7,9H2,1-6H3/t17-/m0/s1
InChIKey
AHZFWPXTSZCLDJ-KRWDZBQOSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
13
Fraction Csp3
0.39
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
113.86
TPSA
74.3

LogP / Solubility

WLOGP
3.21
MLOGP
2.85
XLogP3
1.3
Consensus LogP
2.45
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.62
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
Yes
Log Kp (skin permeation)
-2.96

Drug-likeness / Medicinal Chemistry

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

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