[email protected]
CAS 64191-04-4 Pseudocolumbamine molecular structure lightbox
CAS RN: 64191-04-4

Pseudocolumbamine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251005 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS64191-04-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

64191-04-4 / 3,10,11-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol

Standard CAS: 64191-04-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
64191-04-4
Multi CAS
No
Molecular Formula
C20H20NO4
Molecular Weight
338.400000
Exact Mass
338.139233
InChI
InChI=1S/C20H19NO4/c1-23-18-7-12-4-5-21-11-14-9-20(25-3)19(24-2)8-13(14)6-16(21)15(12)10-17(18)22/h6-11H,4-5H2,1-3H3/p+1
InChIKey
VYHHIAOOSMWHKX-UHFFFAOYSA-O

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
16
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
94.6
TPSA
51.8

LogP / Solubility

WLOGP
3.08
MLOGP
2.73
XLogP3
3.4
Consensus LogP
3.07
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.78
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us