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CAS 1255639-43-0 CMC2.24 molecular structure lightbox
CAS RN: 1255639-43-0

CMC2.24

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250403 1mg / 10mg / 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1255639-43-0
  • Purity/Analytical Methods: >99.0%
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1255639-43-0 / (E)-5-(4-hydroxyphenyl)-2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-3-oxo-N-phenylpent-4-enamide

Standard CAS: 1255639-43-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1255639-43-0
Multi CAS
No
Molecular Formula
C26H21NO5
Molecular Weight
427.400000
Exact Mass
427.141973
SMILES
C1=CC=C(C=C1)NC(=O)C(C(=O)/C=C/C2=CC=C(C=C2)O)C(=O)/C=C/C3=CC=C(C=C3)O
InChI
InChI=1S/C26H21NO5/c28-21-12-6-18(7-13-21)10-16-23(30)25(26(32)27-20-4-2-1-3-5-20)24(31)17-11-19-8-14-22(29)15-9-19/h1-17,25,28-29H,(H,27,32)/b16-10+,17-11+
InChIKey
ZPZMHBPRQOJARQ-OTYYAQKOSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.04
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
3
Molar refractivity
122.86
TPSA
103.7

LogP / Solubility

WLOGP
4.22
MLOGP
3.74
XLogP3
4.9
Consensus LogP
4.29
Log S (ESOL)
-5.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.9
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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