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CAS 70694-72-3 Chitosan hydrochloride, Deacetylation 80.0%-90.0% molecular structure lightbox
CAS RN: 70694-72-3

Chitosan hydrochloride, Deacetylation 80.0%-90.0%

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9 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260106 100g In stock Inquiry
Batchno.20251226 2.5kg Out of stock Inquiry
Batchno.20260401 25g In stock Inquiry
Batchno.20250916 500g In stock Inquiry
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Batchno.20251017 100g In stock Shandong, Guangdong Inquiry
Batchno.20260628 10kg Out of stock 5-7 business days Inquiry
Batchno.20251110 2.5kg In stock Shandong, Hebei Inquiry
Batchno.20250305 25g In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batchno.20250502 500g In stock Shanghai, Shandong, Guangdong Inquiry
  • Product code: LIN850122
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70694-72-3 / (2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;azane;hydrochloride

Standard CAS: 70694-72-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
70694-72-3
Multi CAS
Yes
Molecular Formula
C18H39CLN4O13
Molecular Weight
555.000000
Exact Mass
554.220215
InChI
InChI=1S/C18H35N3O13.ClH.H3N/c19-7-12(27)14(5(2-23)30-16(7)29)33-18-9(21)13(28)15(6(3-24)32-18)34-17-8(20)11(26)10(25)4(1-22)31-17;;/h4-18,22-29H,1-3,19-21H2;1H;1H3/t4-,5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17+,18+;;/m1../s1
InChIKey
WLQLOOLUOVNGQE-BNSJJYALSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
17
H-bond donors
12
Molar refractivity
119.43
TPSA
321.05

LogP / Solubility

WLOGP
-7.09
MLOGP
-6.2
XLogP3
-7.09
Consensus LogP
-6.79
Log S (ESOL)
1.65
Class (ESOL)
Highly soluble
Log S (Ali)
1.01
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.78
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)
-11.14

Drug-likeness / Medicinal Chemistry

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

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