[email protected]
CAS 664993-53-7 JW55 molecular structure lightbox
CAS RN: 664993-53-7

JW55

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250405 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS664993-53-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

664993-53-7 / N-[4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]furan-2-carboxamide

Standard CAS: 664993-53-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
664993-53-7
Multi CAS
No
Molecular Formula
C25H26N2O5
Molecular Weight
434.500000
Exact Mass
434.184172
InChI
InChI=1S/C25H26N2O5/c1-30-21-10-6-19(7-11-21)25(12-15-31-16-13-25)17-26-23(28)18-4-8-20(9-5-18)27-24(29)22-3-2-14-32-22/h2-11,14H,12-13,15-17H2,1H3,(H,26,28)(H,27,29)
InChIKey
ZJZWZIXSGNFWQQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
17
Fraction Csp3
0.28
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
2
Molar refractivity
120.16
TPSA
89.8

LogP / Solubility

WLOGP
4.02
MLOGP
3.56
XLogP3
3.5
Consensus LogP
3.69
Log S (ESOL)
-5
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.66
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)
-2.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us