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CAS 6901-14-0 GAMMA-LUMICOLCHICINE molecular structure lightbox
CAS RN: 6901-14-0

GAMMA-LUMICOLCHICINE

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250804 5mg / 10mg / 25mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS6901-14-0
  • Purity/Analytical Methods: >99.0%
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6901-14-0 / N-[(10R,12S,16R)-3,4,5,14-tetramethoxy-13-oxo-10-tetracyclo[9.5.0.02,7.012,16]hexadeca-1(11),2,4,6,14-pentaenyl]acetamide

Standard CAS: 6901-14-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6901-14-0
Multi CAS
Yes
Molecular Formula
C22H25NO6
Molecular Weight
399.400000
Exact Mass
399.168188
InChI
InChI=1S/C22H25NO6/c1-10(24)23-13-7-6-11-8-15(27-3)21(28-4)22(29-5)16(11)17-12-9-14(26-2)20(25)18(12)19(13)17/h8-9,12-13,18H,6-7H2,1-5H3,(H,23,24)
InChIKey
VKPVZFOUXUQJMW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
106.02
TPSA
83.09

LogP / Solubility

WLOGP
2.28
MLOGP
2.03
XLogP3
1.3
Consensus LogP
1.87
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.75
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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