[email protected]
CAS 106778-43-2 6-isoquinolinecarboxylic acid molecular structure lightbox
CAS RN: 106778-43-2

6-isoquinolinecarboxylic acid

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250325 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-008291
GET A QUOTE
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: 5g, 10g, 25g, 0.25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 106778-43-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 5 In Stock Beijing Inquiry
10g >97% 5 In Stock Shenzhen Inquiry
25g >97% 5 In Stock Beijing Inquiry
0.25g >97% 2 In Stock Shenzhen Inquiry
1g >97% 1 In Stock Hong Kong Inquiry

106778-43-2 / isoquinoline-6-carboxylic acid

Isoquinoline-6-carboxylic acid | 6-Isoquinolinecarboxylic acid | DTXSID30622653

Standard CAS: 106778-43-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
106778-43-2
Multi CAS
Yes
Molecular Formula
C10H7NO2
Molecular Weight
173.170000
Exact Mass
173.047678
SMILES
C1=CC2=C(C=CN=C2)C=C1C(=O)O
InChI
InChI=1S/C10H7NO2/c12-10(13)8-1-2-9-6-11-4-3-7(9)5-8/h1-6H,(H,12,13)
InChIKey
ADAHADRJWVCICR-UHFFFAOYSA-N
Synonyms
Isoquinoline-6-carboxylic acid 6-Isoquinolinecarboxylic acid DTXSID30622653 RefChem:792323 DTXCID60573407

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.7
TPSA
50.19

LogP / Solubility

WLOGP
1.93
MLOGP
1.7
XLogP3
1.8
Consensus LogP
1.81
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.4

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] H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us