[email protected]
CAS 626604-80-6 1H-Pyrrolo[2,3-b]pyridine-3-acetic acid, a-oxo-, ethyl ester molecular structure lightbox
CAS RN: 626604-80-6

1H-Pyrrolo[2,3-b]pyridine-3-acetic acid, a-oxo-, ethyl ester

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260612 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS626604-80-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

626604-80-6 / ethyl 2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetate

Standard CAS: 626604-80-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
626604-80-6
Multi CAS
Yes
Molecular Formula
C11H10N2O3
Molecular Weight
218.210000
Exact Mass
218.069142
InChI
InChI=1S/C11H10N2O3/c1-2-16-11(15)9(14)8-6-13-10-7(8)4-3-5-12-10/h3-6H,2H2,1H3,(H,12,13)
InChIKey
CCFIFACOXYODQN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
57.06
TPSA
72.05

LogP / Solubility

WLOGP
1.31
MLOGP
1.15
XLogP3
1.4
Consensus LogP
1.29
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
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)
-3.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us