![CAS 794582-15-3 2-Pyridinecarboxamide, N-[2-(methylthio)phenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/794582-15-3.gif)
CAS RN: 794582-15-3
2-Pyridinecarboxamide, N-[2-(methylthio)phenyl]-
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.20260330 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS794582-15-3
- Purity/Analytical Methods: >99.0%
794582-15-3 / N-(2-methylsulfanylphenyl)pyridine-2-carboxamide
Basic Information
CAS
794582-15-3
Multi CAS
No
Molecular Formula
C13H12N2OS
Molecular Weight
244.310000
Exact Mass
244.067034
InChI
InChI=1S/C13H12N2OS/c1-17-12-8-3-2-6-10(12)15-13(16)11-7-4-5-9-14-11/h2-9H,1H3,(H,15,16)
InChIKey
UCNWRYKLGQCBPK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
70.41
TPSA
41.99
LogP / Solubility
WLOGP
3.06
MLOGP
2.69
XLogP3
2.5
Consensus LogP
2.75
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.14
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
2-CHLORO-3-(CHLOROMETHYL)-7,8-DIMETHYLQUINOLINE
- CAS RN: 794582-35-7
- Product Code: starshine_CAS794582-35-7
- Purity/Analytical method: >99.0%
-
Imidazo[1,2-a]pyridine, 2-methyl-3-(1-piperazinylmethyl)- (9CI)
- CAS RN: 794582-36-8
- Product Code: SSC-188631
-
13,6-(EPITHIOIMINO)PENTACENE-16-CARBOXYLIC ACID, 6,13-DIHYDRO-, TERT BUTYL ESTER, 15-OXIDE
- CAS RN: 794586-44-0
- Product Code: starshine_CAS794586-44-0
- Purity/Analytical method: >99.0%
-
-
5-Bromo-3-methylpyridine-2-carboxylic acid ethyl ester
- CAS RN: 794592-13-5
- Product Code: SSC-188634
-
![CAS 794582-36-8 Imidazo[1,2-a]pyridine, 2-methyl-3-(1-piperazinylmethyl)- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/794582-36-8.gif)
![CAS 794591-77-8 7-BroMo-3H-pyrido[3,4-d]pyridazin-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/794591-77-8.gif)
![CAS 794592-14-6 3-broMo-8-chloropyrido[2,3-d]pyridazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/794592-14-6.gif)