[email protected]
CAS 400760-25-0 Propanoic acid, 2-[4-[3-[2-(2,4-dichlorophenyl)-5-(1-methylethyl)-4-oxazolyl]-1-oxopropyl]phenoxy]-2-methyl- molecular structure lightbox
CAS RN: 400760-25-0

Propanoic acid, 2-[4-[3-[2-(2,4-dichlorophenyl)-5-(1-methylethyl)-4-oxazolyl]-1-oxopropyl]phenoxy]-2-methyl-

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251229 1mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS400760-25-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

400760-25-0 / 2-[4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]phenoxy]-2-methylpropanoic acid

Standard CAS: 400760-25-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
400760-25-0
Multi CAS
No
Molecular Formula
C25H25CL2NO5
Molecular Weight
490.400000
Exact Mass
489.110978
InChI
InChI=1S/C25H25Cl2NO5/c1-14(2)22-20(28-23(32-22)18-10-7-16(26)13-19(18)27)11-12-21(29)15-5-8-17(9-6-15)33-25(3,4)24(30)31/h5-10,13-14H,11-12H2,1-4H3,(H,30,31)
InChIKey
AHKBZTVLVLACNP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
17
Fraction Csp3
0.32
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
1
Molar refractivity
127.48
TPSA
89.63

LogP / Solubility

WLOGP
6.83
MLOGP
6.04
XLogP3
6.2
Consensus LogP
6.36
Log S (ESOL)
-6.97
Class (ESOL)
Insoluble
Log S (Ali)
-8.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.6
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us