CAS RN: 70191-83-2
Isotetrandrine N-2′-oxide
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260529 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS70191-83-2
- Purity/Analytical Methods: >99.0%
70191-83-2 / 9,20,21,25-tetramethoxy-15,30-dimethyl-30-oxido-7,23-dioxa-15-aza-30-azoniaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaene
Basic Information
CAS
70191-83-2
Multi CAS
Yes
Molecular Formula
C38H42N2O7
Molecular Weight
638.700000
Exact Mass
638.299202
InChI
InChI=1S/C38H42N2O7/c1-39-15-13-26-21-35(44-5)37(45-6)38-36(26)29(39)17-24-9-12-31(42-3)33(19-24)46-27-10-7-23(8-11-27)18-30-28-22-34(47-38)32(43-4)20-25(28)14-16-40(30,2)41/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30+,40?/m1/s1
InChIKey
XOKSQIGOCSEXEF-HMRFYLJESA-N
Computed Properties
Structural Parameters
Heavy atom count
47
Aromatic heavy atom count
24
Fraction Csp3
0.37
Rotatable bonds
4
H-bond acceptors
8
Molar refractivity
179.47
TPSA
81.68
LogP / Solubility
WLOGP
7.18
MLOGP
6.37
XLogP3
6.1
Consensus LogP
6.55
Log S (ESOL)
-8.43
Class (ESOL)
Insoluble
Log S (Ali)
-9.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.25
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.52
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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- Purity/Analytical method: >99.0%
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