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CAS 1111556-37-6 Takinib molecular structure lightbox
CAS RN: 1111556-37-6

Takinib

Product Availability

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7 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260315 100mg In stock Shanghai Inquiry
Batchno.20250402 10mg In stock Shanghai Inquiry
Batchno.20250914 1mg In stock Shanghai Inquiry
Batchno.20250102 250mg Out of stock Inquiry
Batchno.20260617 50mg In stock Shanghai Inquiry
Batchno.20260210 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260604 5mg / 25mg / 100mg Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-012014
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 1111556-37-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Beijing Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry
0.25g -- 1 In Stock Beijing Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
1g -- 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g -- 0 Out of Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1111556-37-6 / 3-N-(1-propylbenzimidazol-2-yl)benzene-1,3-dicarboxamide

Takinib | EDHS-206 | 3-N-(1-propylbenzimidazol-2-yl)benzene-1,3-dicarboxamide

Standard CAS: 1111556-37-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1111556-37-6
Multi CAS
Yes
Molecular Formula
C18H18N4O2
Molecular Weight
322.400000
Exact Mass
322.142976
SMILES
CCCN1C2=CC=CC=C2N=C1NC(=O)C3=CC=CC(=C3)C(=O)N
InChI
InChI=1S/C18H18N4O2/c1-2-10-22-15-9-4-3-8-14(15)20-18(22)21-17(24)13-7-5-6-12(11-13)16(19)23/h3-9,11H,2,10H2,1H3,(H2,19,23)(H,20,21,24)
InChIKey
UOZVVPXKJGOFIG-UHFFFAOYSA-N
Synonyms
Takinib EDHS-206 3-N-(1-propylbenzimidazol-2-yl)benzene-1,3-dicarboxamide Z56NTB3YHJ RefChem:187207

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
15
Fraction Csp3
0.17
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
92.94
TPSA
90.01

LogP / Solubility

WLOGP
2.8
MLOGP
2.48
XLogP3
2.3
Consensus LogP
2.53
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.68
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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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