![CAS 181283-75-0 Furo[2,3-b]pyridine-2-carboxylic acid, 3-amino-, methyl ester (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/181283-75-0.gif)
CAS RN: 181283-75-0
Furo[2,3-b]pyridine-2-carboxylic acid, 3-amino-, methyl ester (9CI)
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: starshine_CAS181283-75-0
- Purity/Analytical Methods: >99.0%
181283-75-0 / methyl 3-aminofuro[2,3-b]pyridine-2-carboxylate
Basic Information
CAS
181283-75-0
Multi CAS
No
Molecular Formula
C9H8N2O3
Molecular Weight
192.170000
Exact Mass
192.053492
SMILES
COC(=O)C1=C(C2=C(O1)N=CC=C2)N
InChI
InChI=1S/C9H8N2O3/c1-13-9(12)7-6(10)5-3-2-4-11-8(5)14-7/h2-4H,10H2,1H3
InChIKey
FMRMGFASHDVXKN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
49.76
TPSA
78.35
LogP / Solubility
WLOGP
1.2
MLOGP
1.05
XLogP3
1.6
Consensus LogP
1.28
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
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)
-3.04
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
-
-
Furo[3,2-b]pyridine-2-carboxylicacid,3-amino-,methylester(9CI)
- CAS RN: 181285-04-1
- Product Code: SSC-082432
-
7-Quinolinecarboxylicacid,8-amino-,methylester(9CI)
- CAS RN: 181285-05-2
- Product Code: starshine_CAS181285-05-2
- Purity/Analytical method: >99.0%
-
-
(R)-(-)-3-Carbamoymethyl-5-methylhexanoic acid
- CAS RN: 181289-33-8
- Product Code: SSC-082437
-
Hexanoicacid, 3-(2-amino-2-oxoethyl)-5-methyl-, (3S)-
- CAS RN: 181289-34-9
- Product Code: starshine_CAS181289-34-9
- Purity/Analytical method: >99.0%
![CAS 181285-04-1 Furo[3,2-b]pyridine-2-carboxylicacid,3-amino-,methylester(9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/181285-04-1.gif)
