[email protected]
CAS 2148339-28-8 AS2717638 molecular structure lightbox
CAS RN: 2148339-28-8

AS2717638

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260605 5mg / 10mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260517 10mg In stock Inquiry
Batchno.20250311 1mg In stock Inquiry
Batchno.20250926 25mg In stock Inquiry
Batchno.20250806 5mg In stock Inquiry
  • Product code: starshine_CAS2148339-28-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

2148339-28-8 / 6,7-dimethoxy-2-(5-methyl-1,2-benzoxazol-3-yl)-4-(piperidine-1-carbonyl)isoquinolin-1-one

Standard CAS: 2148339-28-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2148339-28-8
Multi CAS
No
Molecular Formula
C25H25N3O5
Molecular Weight
447.500000
Exact Mass
447.179421
SMILES
CC1=CC2=C(C=C1)ON=C2N3C=C(C4=CC(=C(C=C4C3=O)OC)OC)C(=O)N5CCCCC5
InChI
InChI=1S/C25H25N3O5/c1-15-7-8-20-18(11-15)23(26-33-20)28-14-19(24(29)27-9-5-4-6-10-27)16-12-21(31-2)22(32-3)13-17(16)25(28)30/h7-8,11-14H,4-6,9-10H2,1-3H3
InChIKey
QRMYHYZQUGJBBX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
19
Fraction Csp3
0.32
Rotatable bonds
4
H-bond acceptors
7
Molar refractivity
124.71
TPSA
86.8

LogP / Solubility

WLOGP
4.08
MLOGP
3.62
XLogP3
3.5
Consensus LogP
3.73
Log S (ESOL)
-5.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.44
Class (SILICOS-IT)
Insoluble

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)
-2.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Customers Also Viewed

Get In Touch

Contact Us