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CAS 9000-11-7 Carboxymethyl cellulose molecular structure lightbox
CAS RN: 9000-11-7

Carboxymethyl cellulose

  • Product code: SSC-202307
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 9000-11-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

9000-11-7 / acetic acid;2,3,4,5,6-pentahydroxyhexanal

Standard CAS: 9000-11-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
9000-11-7
Multi CAS
No
Molecular Formula
C8H16O8
Molecular Weight
240.210000
Exact Mass
240.084517
InChI
InChI=1S/C6H12O6.C2H4O2/c7-1-3(9)5(11)6(12)4(10)2-8;1-2(3)4/h1,3-6,8-12H,2H2;1H3,(H,3,4)
InChIKey
VJHCJDRQFCCTHL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.75
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
6
Molar refractivity
50.49
TPSA
155.52

LogP / Solubility

WLOGP
-3.29
MLOGP
-2.89
XLogP3
-3.29
Consensus LogP
-3.16
Log S (ESOL)
1.07
Class (ESOL)
Highly soluble
Log S (Ali)
0.84
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.91
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)
-6.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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