[email protected]
CAS 35061-50-8 N,N’-Diacetylchitobiose molecular structure lightbox
CAS RN: 35061-50-8

N,N’-Diacetylchitobiose

Product Availability

Choose a grade to view its available package options.

2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250514 10mg In stock Shanghai, Chongqing, Hebei Inquiry
Batchno.20250620 5mg In stock Shanghai Inquiry
  • Product code: ICTD4215
  • Purity/Analytical Methods: >98.0%(HPLC)
GET A QUOTE

35061-50-8 / N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Standard CAS: 35061-50-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35061-50-8
Multi CAS
Yes
Molecular Formula
C16H28N2O11
Molecular Weight
424.400000
Exact Mass
424.169310
InChI
InChI=1S/C16H28N2O11/c1-6(22)17-8(3-19)12(25)15(9(24)4-20)29-16-11(18-7(2)23)14(27)13(26)10(5-21)28-16/h3,8-16,20-21,24-27H,4-5H2,1-2H3,(H,17,22)(H,18,23)/t8-,9+,10+,11+,12+,13+,14+,15+,16-/m0/s1
InChIKey
PLJAKLUDUPBLGD-VLWZLFBZSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.81
Rotatable bonds
10
H-bond acceptors
11
H-bond donors
8
Molar refractivity
93.01
TPSA
215.11

LogP / Solubility

WLOGP
-5.27
MLOGP
-4.61
XLogP3
-5
Consensus LogP
-4.96
Log S (ESOL)
1.51
Class (ESOL)
Highly soluble
Log S (Ali)
0.76
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.75
Class (SILICOS-IT)
Highly 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)
-9.05

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

Customers Also Viewed

Get In Touch

Contact Us