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CAS 93755-77-2 4-Demethyl Tranilast molecular structure lightbox
CAS RN: 93755-77-2

4-Demethyl Tranilast

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Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260418 25mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS93755-77-2
  • Purity/Analytical Methods: >99.0%
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93755-77-2 / 2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]benzoic acid

Standard CAS: 93755-77-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
93755-77-2
Multi CAS
Yes
Molecular Formula
C17H15NO5
Molecular Weight
313.300000
Exact Mass
313.095023
InChI
InChI=1S/C17H15NO5/c1-23-15-10-11(6-8-14(15)19)7-9-16(20)18-13-5-3-2-4-12(13)17(21)22/h2-10,19H,1H3,(H,18,20)(H,21,22)/b9-7+
InChIKey
FSKJPXSYWQUVGO-VQHVLOKHSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.06
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
85.72
TPSA
95.86

LogP / Solubility

WLOGP
2.75
MLOGP
2.43
XLogP3
2.9
Consensus LogP
2.69
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
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
No
Log Kp (skin permeation)
-2.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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