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
- Available purity: ≥95%
- Inventory rows with stock: 2
- 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.
1211516-93-6 / methyl 5-hydroxy-3-methylpyridine-2-carboxylate
Methyl 5-hydroxy-3-methylpicolinate | METHYL 5-HYDROXY-3-METHYLPYRIDINE-2-CARBOXYLATE | MFCD18259191
Basic Information
CAS
1211516-93-6
Multi CAS
No
Molecular Formula
C8H9NO3
Molecular Weight
167.160000
Exact Mass
167.058243
SMILES
CC1=CC(=CN=C1C(=O)OC)O
InChI
InChI=1S/C8H9NO3/c1-5-3-6(10)4-9-7(5)8(11)12-2/h3-4,10H,1-2H3
InChIKey
ZGTXLDWNFBIHJH-UHFFFAOYSA-N
Synonyms
Methyl 5-hydroxy-3-methylpicolinate
METHYL 5-HYDROXY-3-METHYLPYRIDINE-2-CARBOXYLATE
MFCD18259191
SCHEMBL16011716
SCHEMBL30744975
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
41.98
TPSA
59.42
LogP / Solubility
WLOGP
0.88
MLOGP
0.77
XLogP3
1
Consensus LogP
0.88
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
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)
-3.11
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
-
(3-chloro-4-fluorophenyl)methanesulfonyl chloride
- CAS RN: 1211516-98-1
- Product Code: SSC-022551
-
-
3-(Trifluoromethl)-1H-pyrazolo[4,3-b]pyridine
- CAS RN: 1211517-40-6
- Product Code: starshine_CAS1211517-40-6
- Purity/Analytical method: >99.0%
-
1-Propanamine, 3,3,3-trifluoro-2,2-dimethyl-
- CAS RN: 1211517-48-4
- Product Code: SSC-022554
-
-
tert-butyl 3-aMino-8-Methyl-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate
- CAS RN: 1211517-79-1
- Product Code: starshine_CAS1211517-79-1
- Purity/Analytical method: >99.0%
![CAS 1211517-23-5 2-Cbz-2,6-diazaspiro[3.3]heptane oxalate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1211517-23-5.gif)
![CAS 1211517-40-6 3-(Trifluoromethl)-1H-pyrazolo[4,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1211517-40-6.gif)
