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CAS 87344-06-7 2-Methoxyphenyl 2-(2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)acetamido)acetate molecular structure lightbox
CAS RN: 87344-06-7

2-Methoxyphenyl 2-(2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)acetamido)acetate

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251001 100mg In stock Inquiry
Batchno.20251005 10mg In stock Inquiry
Batchno.20260609 250mg Out of stock Inquiry
Batchno.20260105 50mg In stock Inquiry
  • Product code: LINM843952
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87344-06-7 / (2-methoxyphenyl) 2-[[2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetyl]amino]acetate

Standard CAS: 87344-06-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
87344-06-7
Multi CAS
No
Molecular Formula
C24H24N2O5
Molecular Weight
420.500000
Exact Mass
420.168522
InChI
InChI=1S/C24H24N2O5/c1-16-8-10-17(11-9-16)24(29)19-13-12-18(26(19)2)14-22(27)25-15-23(28)31-21-7-5-4-6-20(21)30-3/h4-13H,14-15H2,1-3H3,(H,25,27)
InChIKey
CWJNMKKMGIAGDK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
17
Fraction Csp3
0.21
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
1
Molar refractivity
115.37
TPSA
86.63

LogP / Solubility

WLOGP
2.84
MLOGP
2.52
XLogP3
4
Consensus LogP
3.12
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.71
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.27

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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