[email protected]
CAS 94452-17-2 6-Hexadecanoylamido-4-methylumbelliferyl-beta-D-galactopyranoside molecular structure lightbox
CAS RN: 94452-17-2

6-Hexadecanoylamido-4-methylumbelliferyl-beta-D-galactopyranoside

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260207 1mg Out of stock Inquiry
  • Product code: starshine_CAS94452-17-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

94452-17-2 / 2-methyl-N-[4-methyl-2-oxo-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-6-yl]pentadecanamide

Standard CAS: 94452-17-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
94452-17-2
Multi CAS
Yes
Molecular Formula
C32H49NO9
Molecular Weight
591.700000
Exact Mass
591.340732
InChI
InChI=1S/C32H49NO9/c1-4-5-6-7-8-9-10-11-12-13-14-15-20(2)31(39)33-23-17-22-21(3)16-27(35)40-24(22)18-25(23)41-32-30(38)29(37)28(36)26(19-34)42-32/h16-18,20,26,28-30,32,34,36-38H,4-15,19H2,1-3H3,(H,33,39)/t20?,26-,28+,29+,30-,32-/m1/s1
InChIKey
IEBIXEUUGSLVRR-RBOURDDLSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
10
Fraction Csp3
0.69
Rotatable bonds
17
H-bond acceptors
9
H-bond donors
5
Molar refractivity
160.49
TPSA
158.69

LogP / Solubility

WLOGP
4.56
MLOGP
4.06
XLogP3
5.8
Consensus LogP
4.81
Log S (ESOL)
-5.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.33
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7

Customers Also Viewed

Get In Touch

Contact Us