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CAS 24691-30-3 3,4-DICHLORO-5-METHYLPYRROLE-2-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 24691-30-3

3,4-DICHLORO-5-METHYLPYRROLE-2-CARBOXYLIC ACID

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251202 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20250714 1g In stock Shanghai Inquiry
Batchno.20250304 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS24691-30-3
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: 95%+
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 24691-30-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g 95%+ 0 Out of Stock Hong Kong Inquiry

24691-30-3 / 3,4-dichloro-5-methyl-1H-pyrrole-2-carboxylic acid

Standard CAS: 24691-30-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24691-30-3
Multi CAS
No
Molecular Formula
C6H5Cl2NO2
Molecular Weight
194.010000
Exact Mass
192.969734
SMILES
CC1=C(C(=C(N1)C(=O)O)Cl)Cl
InChI
InChI=1S/C6H5Cl2NO2/c1-2-3(7)4(8)5(9-2)6(10)11/h9H,1H3,(H,10,11)
InChIKey
HIXZMJPBUJFSPJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
42.51
TPSA
53.09

LogP / Solubility

WLOGP
2.33
MLOGP
2.05
XLogP3
2.2
Consensus LogP
2.19
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.25

Drug-likeness / Medicinal Chemistry

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

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