CAS RN: 1186663-28-4
6-(Methylsulfonyl)-2-pyridinecarboxylic Acid
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.20250502 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1186663-28-4
- Purity/Analytical Methods: >99.0%
1186663-28-4 / 6-methylsulfonylpyridine-2-carboxylic acid
6-(METHYLSULFONYL)-2-PYRIDINECARBOXYLIC ACID | 6-methanesulfonylpyridine-2-carboxylic acid | RefChem:543524
Basic Information
CAS
1186663-28-4
Multi CAS
No
Molecular Formula
C7H7NO4S
Molecular Weight
201.200000
Exact Mass
201.009579
SMILES
CS(=O)(=O)C1=CC=CC(=N1)C(=O)O
InChI
InChI=1S/C7H7NO4S/c1-13(11,12)6-4-2-3-5(8-6)7(9)10/h2-4H,1H3,(H,9,10)
InChIKey
OJRJYLURULCELX-UHFFFAOYSA-N
Synonyms
6-(METHYLSULFONYL)-2-PYRIDINECARBOXYLIC ACID
6-methanesulfonylpyridine-2-carboxylic acid
RefChem:543524
988-530-7
6-(Methylsulfonyl)picolinic acid
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
44.31
TPSA
84.33
LogP / Solubility
WLOGP
0.18
MLOGP
0.16
XLogP3
0.3
Consensus LogP
0.21
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
Class (SILICOS-IT)
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)
-3.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
-
1-(4-Bromophenyl)-4-methylpiperazine Hydrobromide
- CAS RN: 1186663-30-8
- Product Code: SSC-018573
-
2-Amino-4-(chloromethyl)pyridine Hydrochloride
- CAS RN: 1186663-31-9
- Product Code: SSC-018574
-
4-Fluoro-4-piperidinecarboxylic Acid Hydrochloride
- CAS RN: 1186663-32-0
- Product Code: SSC-018575
-
Ethyl 4,5,6,7-Tetrahydrothiazolo[5,4-c]pyridine-2-carboxylate Hydrochloride
- CAS RN: 1186663-33-1
- Product Code: SSC-018576
-
![CAS 1186663-33-1 Ethyl 4,5,6,7-Tetrahydrothiazolo[5,4-c]pyridine-2-carboxylate Hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1186663-33-1.gif)
