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
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
175155-53-0 / 2,6-diaminopyridine-3-carboxylic acid
Basic Information
CAS
175155-53-0
Multi CAS
No
Molecular Formula
C6H7N3O2
Molecular Weight
153.140000
Exact Mass
153.053826
SMILES
C1=CC(=NC(=C1C(=O)O)N)N
InChI
InChI=1S/C6H7N3O2/c7-4-2-1-3(6(10)11)5(8)9-4/h1-2H,(H,10,11)(H4,7,8,9)
InChIKey
YTJMLBGHXQRLCA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
40.02
TPSA
102.23
LogP / Solubility
WLOGP
-0.06
MLOGP
-0.05
XLogP3
0.2
Consensus LogP
0.03
Log S (ESOL)
-1.09
Class (ESOL)
Soluble
Log S (Ali)
-0.78
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.73
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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