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CAS 1153905-13-5 1-Methyl-5-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxylic Acid molecular structure lightbox
CAS RN: 1153905-13-5

1-Methyl-5-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxylic Acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251003 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-015144
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1153905-13-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 2 In Stock Beijing Inquiry
1g ≥95% 1 In Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1153905-13-5 / 1-methyl-5-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxylic acid

1-methyl-5-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxylic acid | MFCD12697165 | 1-Methyl-5-(4-(trifluoromethyl)phenyl)-1H-pyrrole-2-carboxylic acid

Standard CAS: 1153905-13-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1153905-13-5
Multi CAS
No
Molecular Formula
C13H10F3NO2
Molecular Weight
269.220000
Exact Mass
269.066363
SMILES
CN1C(=CC=C1C(=O)O)C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C13H10F3NO2/c1-17-10(6-7-11(17)12(18)19)8-2-4-9(5-3-8)13(14,15)16/h2-7H,1H3,(H,18,19)
InChIKey
YOHLWFVGQKUFDL-UHFFFAOYSA-N
Synonyms
1-methyl-5-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxylic acid MFCD12697165 1-Methyl-5-(4-(trifluoromethyl)phenyl)-1H-pyrrole-2-carboxylic acid 1H-Pyrrole-2-carboxylic acid, 1-methyl-5-[4-(trifluoromethyl)phenyl]- 1-methyl-5-[4-(trifluoromethyl)phenyl]-1H-Pyrrole-2-carboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.15
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
62.81
TPSA
42.23

LogP / Solubility

WLOGP
3.41
MLOGP
3.01
XLogP3
3.1
Consensus LogP
3.17
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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