CAS RN: 1672684-68-2
MS-402
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250606 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20251107 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250323 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20251214 | 250mg | Out of stock | Inquiry | |
| Batchno.20250315 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260511 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260619 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1672684-68-2
- Purity/Analytical Methods: >99.0%
1672684-68-2 / 3-chloro-N-(4-methoxyphenyl)-4-[(2-methyl-3-oxocyclopenten-1-yl)amino]benzamide
Basic Information
CAS
1672684-68-2
Multi CAS
No
Molecular Formula
C20H19ClN2O3
Molecular Weight
370.800000
Exact Mass
370.108420
SMILES
CC1=C(CCC1=O)NC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)OC)Cl
InChI
InChI=1S/C20H19ClN2O3/c1-12-17(9-10-19(12)24)23-18-8-3-13(11-16(18)21)20(25)22-14-4-6-15(26-2)7-5-14/h3-8,11,23H,9-10H2,1-2H3,(H,22,25)
InChIKey
VZTVTSICPINUNG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
102.96
TPSA
67.43
LogP / Solubility
WLOGP
4.65
MLOGP
4.11
XLogP3
3.6
Consensus LogP
4.12
Log S (ESOL)
-5.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.53
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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