[email protected]
CAS 948995-62-8 Succinimidyl 4-[3,5-Dimethyl-4-(4-nitrobenzyloxy)phenyl]-4-oxobutyrate molecular structure lightbox
CAS RN: 948995-62-8

Succinimidyl 4-[3,5-Dimethyl-4-(4-nitrobenzyloxy)phenyl]-4-oxobutyrate

Product Availability

Choose a grade to view its available package options.

2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250421 100mg In stock Shanghai Inquiry
Batchno.20250626 25mg Out of stock 8-10 business days Inquiry
  • Product code: ICTS0808
  • Purity/Analytical Methods: >96.0%(HPLC)
GET A QUOTE

948995-62-8 / (2,5-dioxopyrrolidin-1-yl) 4-[3,5-dimethyl-4-[(4-nitrophenyl)methoxy]phenyl]-4-oxobutanoate

Standard CAS: 948995-62-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
948995-62-8
Multi CAS
No
Molecular Formula
C23H22N2O8
Molecular Weight
454.400000
Exact Mass
454.137616
InChI
InChI=1S/C23H22N2O8/c1-14-11-17(19(26)7-10-22(29)33-24-20(27)8-9-21(24)28)12-15(2)23(14)32-13-16-3-5-18(6-4-16)25(30)31/h3-6,11-12H,7-10,13H2,1-2H3
InChIKey
CUTCHWUKZOOSRX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
9
H-bond acceptors
8
Molar refractivity
114.09
TPSA
133.12

LogP / Solubility

WLOGP
3.36
MLOGP
2.99
XLogP3
2.5
Consensus LogP
2.95
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.48
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.11

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us