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CAS 1186663-55-7 2-Amino-4-(1H-pyrazol-1-yl)benzoic Acid molecular structure lightbox
CAS RN: 1186663-55-7

2-Amino-4-(1H-pyrazol-1-yl)benzoic Acid

  • Product code: SSC-018588
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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: 1g, 5g, 10g, 0.1g, 0.25g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 1186663-55-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 2 In Stock Shenzhen Inquiry
5g >97% 2 In Stock Shanghai Inquiry
10g >97% 2 In Stock Beijing Inquiry
0.1g >97% 1 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry
25g >97% 0 Out of Stock Shenzhen Inquiry

1186663-55-7 / 2-amino-4-pyrazol-1-ylbenzoic acid

2-AMINO-4-(1H-PYRAZOL-1-YL)BENZOIC ACID | 2-Amino-4-(1-pyrazolyl)benzoic Acid | 2-amino-4-pyrazol-1-ylbenzoic acid

Standard CAS: 1186663-55-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1186663-55-7
Multi CAS
No
Molecular Formula
C10H9N3O2
Molecular Weight
203.200000
Exact Mass
203.069477
SMILES
C1=CN(N=C1)C2=CC(=C(C=C2)C(=O)O)N
InChI
InChI=1S/C10H9N3O2/c11-9-6-7(13-5-1-4-12-13)2-3-8(9)10(14)15/h1-6H,11H2,(H,14,15)
InChIKey
MCADMJGMKMNLIE-UHFFFAOYSA-N
Synonyms
2-AMINO-4-(1H-PYRAZOL-1-YL)BENZOIC ACID 2-Amino-4-(1-pyrazolyl)benzoic Acid 2-amino-4-pyrazol-1-ylbenzoic acid MFCD11656802 2-Amino-4-(1-pyrazolyl)benzoicAcid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
54.94
TPSA
81.14

LogP / Solubility

WLOGP
1.15
MLOGP
1.01
XLogP3
1.3
Consensus LogP
1.15
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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