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CAS 7336-33-6 (-)-3-Demethylcolchicine molecular structure lightbox
CAS RN: 7336-33-6

(-)-3-Demethylcolchicine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250917 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS7336-33-6
  • Purity/Analytical Methods: >99.0%
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7336-33-6 / N-[(7S)-3-hydroxy-1,2,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide

Standard CAS: 7336-33-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7336-33-6
Multi CAS
Yes
Molecular Formula
C21H23NO6
Molecular Weight
385.400000
Exact Mass
385.152537
InChI
InChI=1S/C21H23NO6/c1-11(23)22-15-7-5-12-9-17(25)20(27-3)21(28-4)19(12)13-6-8-18(26-2)16(24)10-14(13)15/h6,8-10,15,25H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1
InChIKey
JRRUSQGIRBEMRN-HNNXBMFYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
13
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
104.35
TPSA
94.09

LogP / Solubility

WLOGP
2.57
MLOGP
2.28
XLogP3
0.7
Consensus LogP
1.85
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.78
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.25

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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