CAS RN: 103038-00-2
5-Cyano-2-methyl-nicotinic acid ethyl ester
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.20250528 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS103038-00-2
- Purity/Analytical Methods: >99.0%
103038-00-2 / ethyl 5-cyano-2-methylpyridine-3-carboxylate
Ethyl 5-cyano-2-methylnicotinate | Ethyl5-cyano-2-methylnicotinate | SCHEMBL16166523
Basic Information
CAS
103038-00-2
Multi CAS
No
Molecular Formula
C10H10N2O2
Molecular Weight
190.200000
Exact Mass
190.074228
SMILES
CCOC(=O)C1=C(N=CC(=C1)C#N)C
InChI
InChI=1S/C10H10N2O2/c1-3-14-10(13)9-4-8(5-11)6-12-7(9)2/h4,6H,3H2,1-2H3
InChIKey
NEJOOOQDGVMSFX-UHFFFAOYSA-N
Synonyms
Ethyl 5-cyano-2-methylnicotinate
Ethyl5-cyano-2-methylnicotinate
SCHEMBL16166523
MFCD18255251
SB55077
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
49.65
TPSA
62.98
LogP / Solubility
WLOGP
1.44
MLOGP
1.26
XLogP3
1.2
Consensus LogP
1.3
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
Class (SILICOS-IT)
Moderately 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)
-2.86
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
-
Benzoic acid, 3-broMo-2-Methyl-, ethyl ester
- CAS RN: 103038-43-3
- Product Code: SSC-004477
-
-
2-(3-CHLORO-PHENYL)-PROPIONIC ACID METHYL ESTER
- CAS RN: 103040-42-2
- Product Code: SSC-004485
-
-
-
