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CAS 1052410-02-2 2-Phenyl-1H-imidazole-4-carboxylic acid hydrate molecular structure lightbox
CAS RN: 1052410-02-2

2-Phenyl-1H-imidazole-4-carboxylic acid hydrate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251027 25mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-006953
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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, 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 1052410-02-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1052410-02-2 / 2-phenyl-1H-imidazole-5-carboxylic acid;hydrate

2-PHENYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID HYDRATE | MFCD04974056 | 2-phenyl-1H-imidazole-5-carboxylic acid;hydrate

Standard CAS: 1052410-02-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1052410-02-2
Multi CAS
Yes
Molecular Formula
C10H10N2O3
Molecular Weight
206.200000
Exact Mass
206.069142
SMILES
C1=CC=C(C=C1)C2=NC=C(N2)C(=O)O.O
InChI
InChI=1S/C10H8N2O2.H2O/c13-10(14)8-6-11-9(12-8)7-4-2-1-3-5-7;/h1-6H,(H,11,12)(H,13,14);1H2
InChIKey
YIVKWERKOGOQBV-UHFFFAOYSA-N
Synonyms
2-PHENYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID HYDRATE MFCD04974056 2-phenyl-1H-imidazole-5-carboxylic acid;hydrate 2-phenylimidazole-4-carboxylic acid, hydrate 2-Phenylimidazole-4-carboxylic Acid Hydrate

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
54.6
TPSA
97.48

LogP / Solubility

WLOGP
0.95
MLOGP
0.84
XLogP3
0.95
Consensus LogP
0.91
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
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)
-3.3

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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