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CAS 9002-81-7 Polyoxymethylene molecular structure lightbox
CAS RN: 9002-81-7

Polyoxymethylene

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250514 100g In stock Shanghai, Shandong, Guangdong, Chongqing Inquiry
Batchno.20260403 2.5kg In stock Shanghai Inquiry
Batchno.20251213 500g In stock Shanghai, Shandong, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260616 500g / 2.5kg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS9002-81-7
  • Purity/Analytical Methods: >99.0%
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9002-81-7 / [30-[[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetradeca-4,8,12-trien-2-yl]amino]-30-oxotriaconta-12,15-dienyl] icosa-11,14-dienoate

Standard CAS: 9002-81-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
9002-81-7
Multi CAS
Yes
Molecular Formula
C70H123NO10
Molecular Weight
1138.700000
Exact Mass
1137.914699
InChI
InChI=1S/C70H123NO10/c1-3-5-7-9-11-13-14-15-16-28-32-35-38-42-46-50-54-58-66(75)79-59-55-51-47-43-39-36-33-30-27-25-23-21-19-17-18-20-22-24-26-29-31-34-37-41-45-49-53-57-65(74)71-62(63(73)56-52-48-44-40-12-10-8-6-4-2)61-80-70-69(78)68(77)67(76)64(60-72)81-70/h4,6,11-13,15-18,21,23,40,52,56,62-64,67-70,72-73,76-78H,3,5,7-10,14,19-20,22,24-39,41-51,53-55,57-61H2,1-2H3,(H,71,74)
InChIKey
XZDRNDBKYKTHMT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
81
Fraction Csp3
0.77
Rotatable bonds
57
H-bond acceptors
10
H-bond donors
6
Molar refractivity
337.86
TPSA
175.01

LogP / Solubility

WLOGP
16.51
MLOGP
14.64
XLogP3
20.2
Consensus LogP
17.12
Log S (ESOL)
-13.54
Class (ESOL)
Insoluble
Log S (Ali)
-20.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-27.6
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
2.06

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5

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