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CAS RN: 9004-36-8

CELLULOSE ACETATE BUTYRATE

  • Product code: SSC-202422
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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: 100g
  • 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 9004-36-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞95% 0 Out of Stock Hong Kong Inquiry

9004-36-8 / heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6,8,10,13,16,18(26),19,21,23-dodecaene-5,25-dione

Standard CAS: 9004-36-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
9004-36-8
Multi CAS
No
Molecular Formula
C27H14O2
Molecular Weight
370.400000
Exact Mass
370.099380
InChI
InChI=1S/C27H14O2/c28-26-18-7-3-1-5-16(18)22-10-14-9-15-11-23-17-6-2-4-8-19(17)27(29)25(23)13-21(15)20(14)12-24(22)26/h1-8,10-13H,9H2
InChIKey
NSYLYZAYAMBARI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
24
Fraction Csp3
0.04
H-bond acceptors
2
Molar refractivity
112.42
TPSA
34.14

LogP / Solubility

WLOGP
5.68
MLOGP
5.02
XLogP3
5.8
Consensus LogP
5.5
Log S (ESOL)
-6.33
Class (ESOL)
Insoluble
Log S (Ali)
-6.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.78
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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