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CAS 845827-17-0 4-(6-CHLORO-3-PYRIDAZINYL)BENZOIC ACID molecular structure lightbox
CAS RN: 845827-17-0

4-(6-CHLORO-3-PYRIDAZINYL)BENZOIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260104 250mg Out of stock 15 business days Inquiry
  • Product code: SSC-192140
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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 845827-17-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Shanghai Inquiry
0.25g >95% 2 In Stock Beijing Inquiry
1g >95% 2 In Stock Hong Kong Inquiry
5g >95% 2 In Stock Beijing Inquiry

845827-17-0 / 4-(6-chloropyridazin-3-yl)benzoic acid

Standard CAS: 845827-17-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
845827-17-0
Multi CAS
No
Molecular Formula
C11H7CLN2O2
Molecular Weight
234.640000
Exact Mass
234.019605
InChI
InChI=1S/C11H7ClN2O2/c12-10-6-5-9(13-14-10)7-1-3-8(4-2-7)11(15)16/h1-6H,(H,15,16)
InChIKey
KFIYDCWKTZPYHH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.44
TPSA
63.08

LogP / Solubility

WLOGP
2.5
MLOGP
2.2
XLogP3
2
Consensus LogP
2.23
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
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)
-2.38

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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