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CAS 38864-21-0 N,N’,N”-Triacetylchitotriose molecular structure lightbox
CAS RN: 38864-21-0

N,N’,N”-Triacetylchitotriose

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7 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260421 10mg In stock Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250104 100mg Out of stock Inquiry
Batchno.20251030 10mg Out of stock Inquiry
Batchno.20251112 1mg In stock Shanghai Inquiry
Batchno.20250702 25mg Out of stock Inquiry
Batchno.20260212 50mg Out of stock Inquiry
Batchno.20251009 5mg In stock Shanghai Inquiry
  • Product code: ICTT2912
  • Purity/Analytical Methods: >98.0%(HPLC)
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38864-21-0 / N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Standard CAS: 38864-21-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
38864-21-0
Multi CAS
Yes
Molecular Formula
C24H41N3O16
Molecular Weight
627.600000
Exact Mass
627.248682
InChI
InChI=1S/C24H41N3O16/c1-8(32)25-11(4-28)17(36)21(12(35)5-29)42-24-16(27-10(3)34)20(39)22(14(7-31)41-24)43-23-15(26-9(2)33)19(38)18(37)13(6-30)40-23/h4,11-24,29-31,35-39H,5-7H2,1-3H3,(H,25,32)(H,26,33)(H,27,34)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20+,21+,22+,23-,24-/m0/s1
InChIKey
LRDDKCYRFNJZBX-WHFMPQCRSA-N

Physical Properties

Melting Point
304 - 306 °C
Physical Description
White powder; Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
43
Fraction Csp3
0.83
Rotatable bonds
14
H-bond acceptors
16
H-bond donors
11
Molar refractivity
137.24
TPSA
303.13

LogP / Solubility

WLOGP
-7.3
MLOGP
-6.37
XLogP3
-7.2
Consensus LogP
-6.96
Log S (ESOL)
1.79
Class (ESOL)
Highly soluble
Log S (Ali)
0.56
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.64
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)
-11.73

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
10

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