![CAS 1345184-05-5 5-cyclopropyl-N-methyl-6-(methylsulfonamido)-2-(p-tolyl)furo[2,3-b]pyridine-3-carboxamide, 97%(HPLC) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1345184-05-5.png)
CAS RN: 1345184-05-5
5-cyclopropyl-N-methyl-6-(methylsulfonamido)-2-(p-tolyl)furo[2,3-b]pyridine-3-carboxamide, 97%(HPLC)
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.20251107 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINN926797
1345184-05-5 / 5-cyclopropyl-6-(methanesulfonamido)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide
Basic Information
CAS
1345184-05-5
Multi CAS
No
Molecular Formula
C20H21N3O4S
Molecular Weight
399.500000
Exact Mass
399.125277
SMILES
CC1=CC=C(C=C1)C2=C(C3=CC(=C(N=C3O2)NS(=O)(=O)C)C4CC4)C(=O)NC
InChI
InChI=1S/C20H21N3O4S/c1-11-4-6-13(7-5-11)17-16(19(24)21-2)15-10-14(12-8-9-12)18(22-20(15)27-17)23-28(3,25)26/h4-7,10,12H,8-9H2,1-3H3,(H,21,24)(H,22,23)
InChIKey
MGTWYPMCPFNXOC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
15
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
108.01
TPSA
101.3
LogP / Solubility
WLOGP
3.41
MLOGP
3.03
XLogP3
3.1
Consensus LogP
3.18
Log S (ESOL)
-4.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.69
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
