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CAS 9003-56-9 ABS Resins molecular structure lightbox
CAS RN: 9003-56-9

ABS Resins

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6 package records6 with current stock2 grade groups
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Batchno.20251112 100g In stock Inquiry
Batchno.20260118 2.5kg In stock Inquiry
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Batchno.20260213 100g In stock Shanghai, Guangdong, Chongqing, Hebei Inquiry
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Batchno.20260701 500g In stock Guangdong, Hebei Inquiry
  • Product code: starshine_CAS9003-56-9
  • Purity/Analytical Methods: >99.0%
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9003-56-9 / buta-1,3-diene;prop-2-enenitrile;styrene

Standard CAS: 9003-56-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
9003-56-9
Multi CAS
Yes
Molecular Formula
C15H17N
Molecular Weight
211.300000
Exact Mass
211.136100
InChI
InChI=1S/C8H8.C4H6.C3H3N/c1-2-8-6-4-3-5-7-8;1-3-4-2;1-2-3-4/h2-7H,1H2;3-4H,1-2H2;2H,1H2
InChIKey
XECAHXYUAAWDEL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
72.74
TPSA
23.79

LogP / Solubility

WLOGP
4.38
MLOGP
3.86
XLogP3
4.38
Consensus LogP
4.21
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.91
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-0.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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