CAS RN: 527681-11-4
2-Pyridinecarboxylicacid,4,5-dihydroxy-,methylester(9CI)
- Product code: SSC-159887
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | >95% | 0 Out of Stock | Hong Kong | Inquiry |
527681-11-4 / methyl 5-hydroxy-4-oxo-1H-pyridine-2-carboxylate
Basic Information
CAS
527681-11-4
Multi CAS
No
Molecular Formula
C7H7NO4
Molecular Weight
169.130000
Exact Mass
169.037508
InChI
InChI=1S/C7H7NO4/c1-12-7(11)4-2-5(9)6(10)3-8-4/h2-3,10H,1H3,(H,8,9)
InChIKey
ANZJSWOJXMSXEY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
40.07
TPSA
79.39
LogP / Solubility
WLOGP
-0.13
MLOGP
-0.12
XLogP3
0.1
Consensus LogP
-0.05
Log S (ESOL)
-1.11
Class (ESOL)
Soluble
Log S (Ali)
-0.85
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.77
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)
-3.85
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
-
Methyl 3,4-dihydro-2H-chroMene-7-carboxylate
- CAS RN: 527681-32-9
- Product Code: starshine_CAS527681-32-9
- Purity/Analytical method: >99.0%
-
3,4-DIHYDRO-2H-1-BENZOPYRAN-7-CARBOXYLIC ACID
- CAS RN: 527681-33-0
- Product Code: SSC-159888
-
3,4-dihydro-2H-Pyrano[2,3-c]pyridine-6-methanol
- CAS RN: 527681-60-3
- Product Code: SSC-159889
-
3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carbaldehyde
- CAS RN: 527681-61-4
- Product Code: SSC-159890
-
methyl (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-iodopropanoate
- CAS RN: 527696-77-1
- Product Code: SSC-159895
-
Phosphonic acid, P-(3,4-dihydro-2-methyl-1-oxido-2H-pyrrol-2-yl)-, bis(1-methylethyl) ester
- CAS RN: 527704-58-1
- Product Code: starshine_CAS527704-58-1
- Purity/Analytical method: >99.0%
![CAS 527681-60-3 3,4-dihydro-2H-Pyrano[2,3-c]pyridine-6-methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/527681-60-3.gif)
![CAS 527681-61-4 3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carbaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/527681-61-4.gif)
![CAS 527696-77-1 methyl (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-iodopropanoate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/527696-77-1.gif)
