[email protected]
CAS 132819-92-2 1H-Indole-2-carboxylic acid, 1-[(4-methylphenyl)sulfonyl]-, ethyl ester molecular structure lightbox
CAS RN: 132819-92-2

1H-Indole-2-carboxylic acid, 1-[(4-methylphenyl)sulfonyl]-, ethyl ester

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250616 1mg / 5mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS132819-92-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

132819-92-2 / ethyl 1-(4-methylphenyl)sulfonylindole-2-carboxylate

Standard CAS: 132819-92-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
132819-92-2
Multi CAS
No
Molecular Formula
C18H17NO4S
Molecular Weight
343.400000
Exact Mass
343.087829
SMILES
CCOC(=O)C1=CC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)C
InChI
InChI=1S/C18H17NO4S/c1-3-23-18(20)17-12-14-6-4-5-7-16(14)19(17)24(21,22)15-10-8-13(2)9-11-15/h4-12H,3H2,1-2H3
InChIKey
OJMOGUKIYRAILM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
15
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
91.66
TPSA
65.37

LogP / Solubility

WLOGP
3.36
MLOGP
2.98
XLogP3
4.1
Consensus LogP
3.48
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.16
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.43

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us