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CAS 71-62-5 VERATRIDINE molecular structure lightbox
CAS RN: 71-62-5

VERATRIDINE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260617 5mg / 10mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS71-62-5
  • Purity/Analytical Methods: >99.0%
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71-62-5 / (1,10,11,12,14,23-hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl) 3,4-dimethoxybenzoate

Standard CAS: 71-62-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
71-62-5
Multi CAS
Yes
Molecular Formula
C36H51NO11
Molecular Weight
673.800000
Exact Mass
673.346211
InChI
InChI=1S/C36H51NO11/c1-19-6-11-26-31(3,40)35(43)25(17-37(26)16-19)33(42)18-34-24(32(33,41)15-27(35)38)10-9-23-30(34,2)13-12-28(36(23,44)48-34)47-29(39)20-7-8-21(45-4)22(14-20)46-5/h7-8,14,19,23-28,38,40-44H,6,9-13,15-18H2,1-5H3
InChIKey
FVECELJHCSPHKY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
48
Aromatic heavy atom count
6
Fraction Csp3
0.81
Rotatable bonds
4
H-bond acceptors
12
H-bond donors
6
Molar refractivity
169.03
TPSA
178.61

LogP / Solubility

WLOGP
1.36
MLOGP
1.25
XLogP3
1
Consensus LogP
1.2
Log S (ESOL)
-4.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-5.65
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.87

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10

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