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CAS 104931-56-8 Tranilast (SodiuM) molecular structure lightbox
CAS RN: 104931-56-8

Tranilast (SodiuM)

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250225 10mg / 50mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260321 100mg In stock Shanghai Inquiry
Batchno.20250827 10mg In stock Shanghai Inquiry
Batchno.20251024 1g Out of stock Inquiry
Batchno.20251120 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250623 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS104931-56-8
  • Purity/Analytical Methods: >99.0%
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104931-56-8 / sodium 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoate

Tranilast sodium | Tranilast (Sodium) | Sodium 2-(3-(3,4-dimethoxyphenyl)acrylamido)benzoate

Standard CAS: 104931-56-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
104931-56-8
Multi CAS
Yes
Molecular Formula
C18H16NNaO5
Molecular Weight
349.300000
Exact Mass
349.092617
SMILES
COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)[O-])OC.[Na+]
InChI
InChI=1S/C18H17NO5.Na/c1-23-15-9-7-12(11-16(15)24-2)8-10-17(20)19-14-6-4-3-5-13(14)18(21)22;/h3-11H,1-2H3,(H,19,20)(H,21,22);/q;+1/p-1/b10-8+;
InChIKey
KZGHWWBBHZLTTA-VRTOBVRTSA-M
Synonyms
Tranilast sodium Tranilast (Sodium) Sodium 2-(3-(3,4-dimethoxyphenyl)acrylamido)benzoate sodium;2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoate MFCD14584862

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.11
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
87.98
TPSA
87.69

LogP / Solubility

WLOGP
-1.28
MLOGP
-1.11
XLogP3
-1.28
Consensus LogP
-1.22
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.76

Drug-likeness / Medicinal Chemistry

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

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