CAS RN: 1956319-37-1
5-HYDROXYPICOLINIC ACID HCL
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.20260525 |
100mg / 250mg / 1g |
Out of stock |
5-7 business days | Inquiry |
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Product code:
starshine_CAS1956319-37-1
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Purity/Analytical Methods:
>99.0%
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1956319-37-1 / 5-hydroxypyridine-2-carboxylic acid;hydrochloride
Standard CAS: 1956319-37-1
Multi CAS: No
Basic Information
CAS
1956319-37-1
Multi CAS
No
Molecular Formula
C6H6ClNO3
Molecular Weight
175.570000
Exact Mass
175.003621
SMILES
C1=CC(=NC=C1O)C(=O)O.Cl
InChI
InChI=1S/C6H5NO3.ClH/c8-4-1-2-5(6(9)10)7-3-4;/h1-3,8H,(H,9,10);1H
InChIKey
MUPZVNILDMNFDI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
40.11
TPSA
70.42
LogP / Solubility
WLOGP
0.91
MLOGP
0.8
XLogP3
0.91
Consensus LogP
0.87
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
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)
-3.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5