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CAS 25038-81-7 POLY(PYROMELLITIC DIANHYDRIDE-CO-4,4′-OXYDIANILINE), AMIC ACID molecular structure lightbox
CAS RN: 25038-81-7

POLY(PYROMELLITIC DIANHYDRIDE-CO-4,4′-OXYDIANILINE), AMIC ACID

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260504 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS25038-81-7
  • Purity/Analytical Methods: >99.0%
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25038-81-7 / 4-(4-aminophenoxy)aniline;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone

Standard CAS: 25038-81-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25038-81-7
Multi CAS
No
Molecular Formula
C22H14N2O7
Molecular Weight
418.400000
Exact Mass
418.080101
SMILES
C1=CC(=CC=C1N)OC2=CC=C(C=C2)N.C1=C2C(=CC3=C1C(=O)OC3=O)C(=O)OC2=O
InChI
InChI=1S/C12H12N2O.C10H2O6/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;11-7-3-1-4-6(10(14)16-8(4)12)2-5(3)9(13)15-7/h1-8H,13-14H2;1-2H
InChIKey
NXDMHKQJWIMEEE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
24
Rotatable bonds
2
H-bond acceptors
9
H-bond donors
2
Molar refractivity
115.22
TPSA
155.83

LogP / Solubility

WLOGP
2.14
MLOGP
1.91
XLogP3
2.14
Consensus LogP
2.06
Log S (ESOL)
-4.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.39
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.75

Drug-likeness / Medicinal Chemistry

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

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