[email protected]
CAS 191228-04-3 Heptanamide, 7-[(4′-cyano[1,1′-biphenyl]-4-yl)oxy]-N-hydroxy- molecular structure lightbox
CAS RN: 191228-04-3

Heptanamide, 7-[(4′-cyano[1,1′-biphenyl]-4-yl)oxy]-N-hydroxy-

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250412 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS191228-04-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

191228-04-3 / 7-[4-(4-cyanophenyl)phenoxy]-N-hydroxyheptanamide

Standard CAS: 191228-04-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
191228-04-3
Multi CAS
No
Molecular Formula
C20H22N2O3
Molecular Weight
338.400000
Exact Mass
338.163043
SMILES
C1=CC(=CC=C1C#N)C2=CC=C(C=C2)OCCCCCCC(=O)NO
InChI
InChI=1S/C20H22N2O3/c21-15-16-6-8-17(9-7-16)18-10-12-19(13-11-18)25-14-4-2-1-3-5-20(23)22-24/h6-13,24H,1-5,14H2,(H,22,23)
InChIKey
DWIYBCKFYUQVLU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
2
Molar refractivity
95.1
TPSA
82.35

LogP / Solubility

WLOGP
4.06
MLOGP
3.59
XLogP3
3.6
Consensus LogP
3.75
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.31
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
No
Log Kp (skin permeation)
-1.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us