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CAS 53-86-1 Indomethacin molecular structure lightbox
CAS RN: 53-86-1

Indomethacin

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9 package records9 with current stock2 grade groups
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Batchno.20250527 100g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20251116 1mg In stock Shanghai Inquiry
Batchno.20250116 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250215 500g In stock Shenzhen Inquiry
Batchno.20251219 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
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Batchno.20260216 100g In stock Inquiry
Batchno.20250126 25g In stock Inquiry
Batchno.20250125 500g In stock Inquiry
Batchno.20250818 5g In stock Inquiry
  • Product code: ICTI0655
  • Purity/Analytical Methods: >98.0%(T)(HPLC)
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53-86-1 / 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid

Standard CAS: 53-86-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
53-86-1
Multi CAS
Yes
Molecular Formula
C19H16CLNO4
Molecular Weight
357.800000
Exact Mass
357.076786
InChI
InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
InChIKey
CGIGDMFJXJATDK-UHFFFAOYSA-N

Physical Properties

Melting Point
311 or 323.6 °F (NTP, 1992) One form of polymorphic crystals melts at about 155 °C, the other at about 162 °C MP: 160 °C 158 °C
Physical Description
Crystals. (NTP, 1992) Solid
Appearance
Pale-yellow to yellow-tan, crystalline powder Crystals exhibit polymorphism
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
15
Fraction Csp3
0.16
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
95.75
TPSA
68.53

LogP / Solubility

WLOGP
3.93
MLOGP
3.47
XLogP3
4.3
Consensus LogP
3.9
Log S (ESOL)
-4.71
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.73
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.11

Drug-likeness / Medicinal Chemistry

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

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