[email protected]
CAS 50656-77-4 Niranthin molecular structure lightbox
CAS RN: 50656-77-4

Niranthin

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250403 100mg Out of stock Inquiry
  • Product code: starshine_CAS50656-77-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

50656-77-4 / 6-[(2S,3S)-3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-4-methoxy-1,3-benzodioxole

Standard CAS: 50656-77-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
50656-77-4
Multi CAS
Yes
Molecular Formula
C24H32O7
Molecular Weight
432.500000
Exact Mass
432.214803
InChI
InChI=1S/C24H32O7/c1-25-13-18(8-16-6-7-20(27-3)21(10-16)28-4)19(14-26-2)9-17-11-22(29-5)24-23(12-17)30-15-31-24/h6-7,10-12,18-19H,8-9,13-15H2,1-5H3/t18-,19-/m1/s1
InChIKey
RCFGIEPQSDGMJJ-RTBURBONSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
12
H-bond acceptors
7
Molar refractivity
116.8
TPSA
64.61

LogP / Solubility

WLOGP
3.75
MLOGP
3.33
XLogP3
4.1
Consensus LogP
3.73
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.03
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Customers Also Viewed

Get In Touch

Contact Us