[email protected]
CAS 898826-64-7 Gb3-β-MP molecular structure lightbox
CAS RN: 898826-64-7

Gb3-β-MP

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251123 10mg Out of stock 5-7 business days Inquiry
  • Product code: ICTM1767
  • Purity/Analytical Methods: >95.0%(HPLC)
GET A QUOTE

898826-64-7 / (2R,3S,4S,5R,6S)-2-[(2S,3R,4R,5S,6S)-6-[(2S,3S,4R,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Standard CAS: 898826-64-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
898826-64-7
Multi CAS
Yes
Molecular Formula
C25H38O17
Molecular Weight
610.600000
Exact Mass
610.210900
InChI
InChI=1S/C25H38O17/c1-36-9-2-4-10(5-3-9)37-23-19(34)16(31)21(12(7-27)39-23)42-25-20(35)17(32)22(13(8-28)40-25)41-24-18(33)15(30)14(29)11(6-26)38-24/h2-5,11-35H,6-8H2,1H3/t11-,12-,13-,14-,15-,16+,17+,18-,19-,20-,21+,22-,23+,24+,25-/m0/s1
InChIKey
SADQXSYAYSUILX-QJDRNXISSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
6
Fraction Csp3
0.76
Rotatable bonds
10
H-bond acceptors
17
H-bond donors
10
Molar refractivity
132.66
TPSA
266.91

LogP / Solubility

WLOGP
-5.48
MLOGP
-4.77
XLogP3
-5
Consensus LogP
-5.08
Log S (ESOL)
0.38
Class (ESOL)
Highly soluble
Log S (Ali)
-0.61
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.28
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-10.33

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us