[email protected]
CAS 20826-01-1 ETHYL 5-METHOXYPYRIDINE-3-CARBOXYLATE molecular structure lightbox
CAS RN: 20826-01-1

ETHYL 5-METHOXYPYRIDINE-3-CARBOXYLATE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250504 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS20826-01-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

20826-01-1 / ethyl 5-methoxypyridine-3-carboxylate

Standard CAS: 20826-01-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20826-01-1
Multi CAS
No
Molecular Formula
C9H11NO3
Molecular Weight
181.190000
Exact Mass
181.073893
SMILES
CCOC(=O)C1=CC(=CN=C1)OC
InChI
InChI=1S/C9H11NO3/c1-3-13-9(11)7-4-8(12-2)6-10-5-7/h4-6H,3H2,1-2H3
InChIKey
AHFHVMVXWINXKJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
46.75
TPSA
48.42

LogP / Solubility

WLOGP
1.27
MLOGP
1.11
XLogP3
1
Consensus LogP
1.13
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.25
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)
-2.93

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

Get In Touch

Contact Us