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CAS 60314-89-8 geissoschizine methylether molecular structure lightbox
CAS RN: 60314-89-8

geissoschizine methylether

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3 package records3 with current stock1 grade group
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Batchno.20260419 10mg In stock Shanghai Inquiry
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Batchno.20260513 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS60314-89-8
  • Purity/Analytical Methods: >99.0%
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60314-89-8 / methyl 2-[(2S,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate

Standard CAS: 60314-89-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
60314-89-8
Multi CAS
Yes
Molecular Formula
C22H26N2O3
Molecular Weight
366.500000
Exact Mass
366.194343
InChI
InChI=1S/C22H26N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h4-8,13,17,20,23H,9-12H2,1-3H3/b14-4-,18-13-/t17-,20-/m0/s1
InChIKey
VAMJZLUOKJRHOW-XEASWFAXSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
9
Fraction Csp3
0.41
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
105.29
TPSA
54.56

LogP / Solubility

WLOGP
3.74
MLOGP
3.31
XLogP3
2.7
Consensus LogP
3.25
Log S (ESOL)
-4.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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