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CAS 1249352-65-5 2-Chloro-4-[(cyclopropylcarbonyl)aMino]benzoic Acid molecular structure lightbox
CAS RN: 1249352-65-5

2-Chloro-4-[(cyclopropylcarbonyl)aMino]benzoic Acid

  • Product code: SSC-029289
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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: 5g
  • 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 1249352-65-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1249352-65-5 / 2-chloro-4-(cyclopropanecarbonylamino)benzoic acid

Standard CAS: 1249352-65-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1249352-65-5
Multi CAS
No
Molecular Formula
C11H10ClNO3
Molecular Weight
239.650000
Exact Mass
239.034921
SMILES
C1CC1C(=O)NC2=CC(=C(C=C2)C(=O)O)Cl
InChI
InChI=1S/C11H10ClNO3/c12-9-5-7(3-4-8(9)11(15)16)13-10(14)6-1-2-6/h3-6H,1-2H2,(H,13,14)(H,15,16)
InChIKey
CTWCQCGNRZVMLE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
59.77
TPSA
66.4

LogP / Solubility

WLOGP
2.39
MLOGP
2.11
XLogP3
2.7
Consensus LogP
2.4
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
Class (SILICOS-IT)
Poorly 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)
-2.49

Drug-likeness / Medicinal Chemistry

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

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