CAS RN: 1367986-63-7
5-AMINO-6-HYDROXYPYRIDINE-3-CARBOXYLIC ACID
- Product code: SSC-045865
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: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1367986-63-7 / 5-amino-6-oxo-1H-pyridine-3-carboxylic acid
Basic Information
CAS
1367986-63-7
Multi CAS
No
Molecular Formula
C6H6N2O3
Molecular Weight
154.120000
Exact Mass
154.037842
SMILES
C1=C(C(=O)NC=C1C(=O)O)N
InChI
InChI=1S/C6H6N2O3/c7-4-1-3(6(10)11)2-8-5(4)9/h1-2H,7H2,(H,8,9)(H,10,11)
InChIKey
ILYFNKIXWWNLFS-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
3
Molar refractivity
38.43
TPSA
96.18
LogP / Solubility
WLOGP
-0.34
MLOGP
-0.31
XLogP3
-1
Consensus LogP
-0.55
Log S (ESOL)
-0.92
Class (ESOL)
Very soluble
Log S (Ali)
-0.57
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.5
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)
-3.9
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
-
8-Chloroisoquinolin-1(2H)-one
- CAS RN: 1368031-04-2
- Product Code: starshine_CAS1368031-04-2
- Purity/Analytical method: >99.0%
-
tert-butyl 4-oxa-1,9-diazaspiro[5.5]undecane-1-carboxylate
- CAS RN: 1368040-61-2
- Product Code: SSC-045880
-
CIS-TERT-BUTYL 3-AMINO-4-ISOPROPYLPYRROLIDINE-1-CARBOXYLATE
- CAS RN: 1368054-92-5
- Product Code: SSC-045885
-
-
-
tert-butyl 3-amino-2-methylazetidine-1-carboxylate
- CAS RN: 1368087-42-6
- Product Code: SSC-045892
![CAS 1368040-61-2 tert-butyl 4-oxa-1,9-diazaspiro[5.5]undecane-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1368040-61-2.gif)
![CAS 1368069-25-3 Pyrazolo[1,5-a]pyrimidine, 2-bromo- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1368069-25-3.gif)
