[email protected]
CAS 1510829-06-7 Vecabrutinib molecular structure lightbox
CAS RN: 1510829-06-7

Vecabrutinib

Product Availability

Choose a grade to view its available package options.

4 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250606 10mg Out of stock Inquiry
Batchno.20260422 1mg Out of stock Inquiry
Batchno.20260315 5mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250530 5mg / 10mg / 25mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1510829-06-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1510829-06-7 / (3R,4S)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-[(3R)-3-[3-chloro-5-(trifluoromethyl)anilino]-2-oxopiperidin-1-yl]piperidine-4-carboxamide

Standard CAS: 1510829-06-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1510829-06-7
Multi CAS
No
Molecular Formula
C22H24ClF4N7O2
Molecular Weight
529.900000
Exact Mass
529.161613
SMILES
C1C[C@H](C(=O)N(C1)[C@H]2CN(CC[C@@H]2C(=O)N)C3=NC=NC(=C3F)N)NC4=CC(=CC(=C4)C(F)(F)F)Cl
InChI
InChI=1S/C22H24ClF4N7O2/c23-12-6-11(22(25,26)27)7-13(8-12)32-15-2-1-4-34(21(15)36)16-9-33(5-3-14(16)19(29)35)20-17(24)18(28)30-10-31-20/h6-8,10,14-16,32H,1-5,9H2,(H2,29,35)(H2,28,30,31)/t14-,15+,16-/m0/s1
InChIKey
QLRRJMOBVVGXEJ-XHSDSOJGSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
12
Fraction Csp3
0.45
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
3
Molar refractivity
124.52
TPSA
130.47

LogP / Solubility

WLOGP
2.65
MLOGP
2.37
XLogP3
2.7
Consensus LogP
2.57
Log S (ESOL)
-4.71
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.91
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6

Customers Also Viewed

Get In Touch

Contact Us