[email protected]
CAS 849550-67-0 Cevipabulin fumarate molecular structure lightbox
CAS RN: 849550-67-0

Cevipabulin fumarate

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251217 5mg / 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS849550-67-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

849550-67-0 / (E)-but-2-enedioic acid;5-chloro-6-[2,6-difluoro-4-[3-(methylamino)propoxy]phenyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Standard CAS: 849550-67-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
849550-67-0
Multi CAS
Yes
Molecular Formula
C22H22CLF5N6O5
Molecular Weight
580.900000
Exact Mass
580.126036
InChI
InChI=1S/C18H18ClF5N6O.C4H4O4/c1-9(18(22,23)24)28-16-14(15(19)29-17-26-8-27-30(16)17)13-11(20)6-10(7-12(13)21)31-5-3-4-25-2;5-3(6)1-2-4(7)8/h6-9,25,28H,3-5H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t9-;/m0./s1
InChIKey
TUXZQBYIZLWUKK-AFIAKLHKSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
15
Fraction Csp3
0.32
Rotatable bonds
10
H-bond acceptors
9
H-bond donors
4
Molar refractivity
128.73
TPSA
150.97

LogP / Solubility

WLOGP
3.79
MLOGP
3.38
XLogP3
3.79
Consensus LogP
3.65
Log S (ESOL)
-5.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.78
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-3.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

Customers Also Viewed

Get In Touch

Contact Us