CAS RN: 1027847-67-1

AMG-009

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Batchno.20260420 100mg In stock Shanghai Inquiry
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  • Product code: starshine_CAS1027847-67-1
  • Purity/Analytical Methods: >99.0%
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1027847-67-1 / 2-[4-[4-(butylcarbamoyl)-2-[(2,4-dichlorophenyl)sulfonylamino]phenoxy]-3-methoxyphenyl]acetic acid

AMG-009 | AMG 009 | 83262TRK3S

Standard CAS: 1027847-67-1 Multi CAS: No

Basic Information

CAS
1027847-67-1
Multi CAS
No
Molecular Formula
C26H26Cl2N2O7S
Molecular Weight
581.500000
Exact Mass
580.083778
SMILES
CCCCNC(=O)C1=CC(=C(C=C1)OC2=C(C=C(C=C2)CC(=O)O)OC)NS(=O)(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C26H26Cl2N2O7S/c1-3-4-11-29-26(33)17-6-9-21(37-22-8-5-16(13-25(31)32)12-23(22)36-2)20(14-17)30-38(34,35)24-10-7-18(27)15-19(24)28/h5-10,12,14-15,30H,3-4,11,13H2,1-2H3,(H,29,33)(H,31,32)
InChIKey
DKSKRBVXRDGYAS-UHFFFAOYSA-N
Synonyms
AMG-009 AMG 009 83262TRK3S Benzeneacetic acid, 4-(4-((butylamino)carbonyl)-2-(((2,4-dichlorophenyl)sulfonyl)amino)phenoxy)-3-methoxy- RefChem:915667

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
18
Fraction Csp3
0.23
Rotatable bonds
12
H-bond acceptors
6
H-bond donors
3
Molar refractivity
145.36
TPSA
131.03

LogP / Solubility

WLOGP
5.75
MLOGP
5.11
XLogP3
5.2
Consensus LogP
5.35
Log S (ESOL)
-6.63
Class (ESOL)
Insoluble
Log S (Ali)
-8.48
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.65
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.18

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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