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CAS 1094744-10-1 2-[2-(4-Methyl-1,3-thiazol-5-yl)-1H-1,3-benzodiazol-1-yl]acetic Acid molecular structure lightbox
CAS RN: 1094744-10-1

2-[2-(4-Methyl-1,3-thiazol-5-yl)-1H-1,3-benzodiazol-1-yl]acetic Acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251002 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-010863
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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 1094744-10-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1094744-10-1 / 2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]acetic acid

2-[2-(4-methyl-1,3-thiazol-5-yl)-1H-1,3-benzodiazol-1-yl]acetic acid | 2-(2-(4-methyl-1,3-thiazol-5-yl)-1H-1,3-benzodiazol-1-yl)acetic acid | RefChem:452966

Standard CAS: 1094744-10-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1094744-10-1
Multi CAS
No
Molecular Formula
C13H11N3O2S
Molecular Weight
273.310000
Exact Mass
273.057198
SMILES
CC1=C(SC=N1)C2=NC3=CC=CC=C3N2CC(=O)O
InChI
InChI=1S/C13H11N3O2S/c1-8-12(19-7-14-8)13-15-9-4-2-3-5-10(9)16(13)6-11(17)18/h2-5,7H,6H2,1H3,(H,17,18)
InChIKey
WIRBKKOIWQAZNX-UHFFFAOYSA-N
Synonyms
2-[2-(4-methyl-1,3-thiazol-5-yl)-1H-1,3-benzodiazol-1-yl]acetic acid 2-(2-(4-methyl-1,3-thiazol-5-yl)-1H-1,3-benzodiazol-1-yl)acetic acid RefChem:452966 898-862-3 MFCD12741857

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
14
Fraction Csp3
0.15
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
73.21
TPSA
68.01

LogP / Solubility

WLOGP
2.55
MLOGP
2.26
XLogP3
2.3
Consensus LogP
2.37
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.92
Class (SILICOS-IT)
Poorly 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)
-2.57

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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