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CAS 148411-57-8 CHITOSAN OLIGOSACCHARIDE LACTATE molecular structure lightbox
CAS RN: 148411-57-8

CHITOSAN OLIGOSACCHARIDE LACTATE

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6 package records6 with current stock2 grade groups
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  • Product code: starshine_CAS148411-57-8
  • Purity/Analytical Methods: >99.0%
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148411-57-8 / (2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol

Standard CAS: 148411-57-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
148411-57-8
Multi CAS
No
Molecular Formula
C12H24N2O9
Molecular Weight
340.330000
Exact Mass
340.148180
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)N)O)CO)N)O)O)O
InChI
InChI=1S/C12H24N2O9/c13-5-9(19)10(4(2-16)21-11(5)20)23-12-6(14)8(18)7(17)3(1-15)22-12/h3-12,15-20H,1-2,13-14H2/t3-,4-,5-,6-,7-,8-,9-,10-,11-,12+/m1/s1
InChIKey
QLTSDROPCWIKKY-PMCTYKHCSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
11
H-bond donors
8
Molar refractivity
72.56
TPSA
201.11

LogP / Solubility

WLOGP
-5.46
MLOGP
-4.79
XLogP3
-5.2
Consensus LogP
-5.15
Log S (ESOL)
1.76
Class (ESOL)
Highly soluble
Log S (Ali)
1.59
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.18
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-8.68

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
Yes
Synthetic Accessibility
7.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website. H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317

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