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CAS 203640-27-1 (R)-3-(1H-Indol-3-yl)-2-(5-(p-tolylethynyl)thiophene-2-sulfonamido)propanoic acid molecular structure lightbox
CAS RN: 203640-27-1

(R)-3-(1H-Indol-3-yl)-2-(5-(p-tolylethynyl)thiophene-2-sulfonamido)propanoic acid

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260420 1mg / 5mg / 10mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS203640-27-1
  • Purity/Analytical Methods: >99.0%
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203640-27-1 / (2R)-3-(1H-indol-3-yl)-2-[[5-[2-(4-methylphenyl)ethynyl]thiophen-2-yl]sulfonylamino]propanoic acid

Standard CAS: 203640-27-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
203640-27-1
Multi CAS
No
Molecular Formula
C24H20N2O4S2
Molecular Weight
464.600000
Exact Mass
464.086449
SMILES
CC1=CC=C(C=C1)C#CC2=CC=C(S2)S(=O)(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)O
InChI
InChI=1S/C24H20N2O4S2/c1-16-6-8-17(9-7-16)10-11-19-12-13-23(31-19)32(29,30)26-22(24(27)28)14-18-15-25-21-5-3-2-4-20(18)21/h2-9,12-13,15,22,25-26H,14H2,1H3,(H,27,28)/t22-/m1/s1
InChIKey
YWCLDDLVLSQGSZ-JOCHJYFZSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
20
Fraction Csp3
0.12
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
125.23
TPSA
99.26

LogP / Solubility

WLOGP
3.91
MLOGP
3.47
XLogP3
5
Consensus LogP
4.13
Log S (ESOL)
-5.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.65
Class (SILICOS-IT)
Insoluble

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)
-2.78

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
3.5

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