[email protected]
CAS 148565-55-3 NONYL-BETA-D-1-THIOMALTOSIDE molecular structure lightbox
CAS RN: 148565-55-3

NONYL-BETA-D-1-THIOMALTOSIDE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260516 25mg / 100mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS148565-55-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

148565-55-3 / (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-nonylsulfanyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Standard CAS: 148565-55-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
148565-55-3
Multi CAS
No
Molecular Formula
C21H40O10S
Molecular Weight
484.600000
Exact Mass
484.234219
SMILES
CCCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
InChI
InChI=1S/C21H40O10S/c1-2-3-4-5-6-7-8-9-32-21-18(28)16(26)19(13(11-23)30-21)31-20-17(27)15(25)14(24)12(10-22)29-20/h12-28H,2-11H2,1H3/t12-,13-,14-,15+,16-,17-,18-,19-,20-,21+/m1/s1
InChIKey
AFOMEWLJBOWKCP-OHQXVXRSSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
1
Rotatable bonds
13
H-bond acceptors
11
H-bond donors
7
Molar refractivity
116.85
TPSA
169.3

LogP / Solubility

WLOGP
-0.91
MLOGP
-0.76
XLogP3
0.6
Consensus LogP
-0.36
Log S (ESOL)
-1.42
Class (ESOL)
Soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.62
Class (SILICOS-IT)
Poorly 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)
-6.32

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5

Customers Also Viewed

Get In Touch

Contact Us