CAS RN: 1962928-26-2
BGC 20-1531 (hydrochloride)
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.20250323 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1962928-26-2
- Purity/Analytical Methods: >99.0%
1962928-26-2 / 4-[[4-(5-methoxy-2-pyridinyl)phenoxy]methyl]-5-methyl-N-(2-methylphenyl)sulfonylfuran-2-carboxamide;hydrochloride
Basic Information
CAS
1962928-26-2
Multi CAS
No
Molecular Formula
C26H25ClN2O6S
Molecular Weight
529.000000
Exact Mass
528.112185
SMILES
CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC(=C(O2)C)COC3=CC=C(C=C3)C4=NC=C(C=C4)OC.Cl
InChI
InChI=1S/C26H24N2O6S.ClH/c1-17-6-4-5-7-25(17)35(30,31)28-26(29)24-14-20(18(2)34-24)16-33-21-10-8-19(9-11-21)23-13-12-22(32-3)15-27-23;/h4-15H,16H2,1-3H3,(H,28,29);1H
InChIKey
ZSHYZCXOFPPBMH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
23
Fraction Csp3
0.15
Rotatable bonds
8
H-bond acceptors
7
H-bond donors
1
Molar refractivity
137.08
TPSA
107.73
LogP / Solubility
WLOGP
5.09
MLOGP
4.52
XLogP3
5.09
Consensus LogP
4.9
Log S (ESOL)
-6.27
Class (ESOL)
Insoluble
Log S (Ali)
-7.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.28
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.34
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
4.5
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