CAS RN: 1233244-78-4
3-hydroxyquinoline-6-carboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251124 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1233244-78-4
- Purity/Analytical Methods: >99.0%
1233244-78-4 / 3-hydroxyquinoline-6-carboxylic acid
Basic Information
CAS
1233244-78-4
Multi CAS
No
Molecular Formula
C10H7NO3
Molecular Weight
189.170000
Exact Mass
189.042593
SMILES
C1=CC2=NC=C(C=C2C=C1C(=O)O)O
InChI
InChI=1S/C10H7NO3/c12-8-4-7-3-6(10(13)14)1-2-9(7)11-5-8/h1-5,12H,(H,13,14)
InChIKey
YIJCKQVORNAAOU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50.37
TPSA
70.42
LogP / Solubility
WLOGP
1.64
MLOGP
1.44
XLogP3
1.6
Consensus LogP
1.56
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
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)
-2.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
1-Amino-6-azaspiro[2.5]octane-6-carboxylic acid tert-butyl ester
- CAS RN: 1233323-55-1
- Product Code: SSC-026981
-
9-(tert-Butoxycarbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylic acid
- CAS RN: 1233323-61-9
- Product Code: SSC-026982
-
Sofosbuvir Impurity
- CAS RN: 1233335-82-4
- Product Code: starshine_CAS1233335-82-4
- Purity/Analytical method: >99.0%
-
D-erythro-Pentofuranosyl bromide, 2-deoxy-2-fluoro-2-methyl-, 3,5-dibenzoate, (2R)-
- CAS RN: 1233335-84-6
- Product Code: SSC-026987
-
![CAS 1233323-55-1 1-Amino-6-azaspiro[2.5]octane-6-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1233323-55-1.gif)
![CAS 1233323-61-9 9-(tert-Butoxycarbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1233323-61-9.gif)
