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CAS 118768-13-1 H-pyrrolo[1,2-b]pyridazine-6-carboxylic acid molecular structure lightbox
CAS RN: 118768-13-1

H-pyrrolo[1,2-b]pyridazine-6-carboxylic acid

Product Availability

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4 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250816 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250510 100mg In stock Shanghai Inquiry
Batchno.20250718 1g Out of stock Inquiry
Batchno.20250630 250mg Out of stock Inquiry
  • Product code: SSC-018728
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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 118768-13-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

118768-13-1 / pyrrolo[1,2-b]pyridazine-6-carboxylic acid

Pyrrolo[1,2-b]pyridazine-6-carboxylic acid | DTXSID80625896 | Pyrrolo(1,2-b)pyridazine-6-carboxylic acid

Standard CAS: 118768-13-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
118768-13-1
Multi CAS
No
Molecular Formula
C8H6N2O2
Molecular Weight
162.150000
Exact Mass
162.042927
SMILES
C1=CC2=CC(=CN2N=C1)C(=O)O
InChI
InChI=1S/C8H6N2O2/c11-8(12)6-4-7-2-1-3-9-10(7)5-6/h1-5H,(H,11,12)
InChIKey
SLVBZCDHIKVNNN-UHFFFAOYSA-N
Synonyms
Pyrrolo[1,2-b]pyridazine-6-carboxylic acid DTXSID80625896 Pyrrolo(1,2-b)pyridazine-6-carboxylic acid RefChem:378194 DTXCID50576649

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.15
TPSA
54.6

LogP / Solubility

WLOGP
1.03
MLOGP
0.9
XLogP3
0.6
Consensus LogP
0.84
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.69
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
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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