[email protected]
CAS 134471-24-2 N-Succinimidyl 7-Hydroxycoumarin-3-carboxylate molecular structure lightbox
CAS RN: 134471-24-2

N-Succinimidyl 7-Hydroxycoumarin-3-carboxylate

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260119 25mg / 200mg / 500mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: ICTS0866
  • Purity/Analytical Methods: >96.0%(T)(HPLC)
GET A QUOTE

134471-24-2 / (2,5-dioxopyrrolidin-1-yl) 7-hydroxy-2-oxochromene-3-carboxylate

Standard CAS: 134471-24-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
134471-24-2
Multi CAS
No
Molecular Formula
C14H9NO7
Molecular Weight
303.220000
Exact Mass
303.037902
SMILES
C1CC(=O)N(C1=O)OC(=O)C2=CC3=C(C=C(C=C3)O)OC2=O
InChI
InChI=1S/C14H9NO7/c16-8-2-1-7-5-9(13(19)21-10(7)6-8)14(20)22-15-11(17)3-4-12(15)18/h1-2,5-6,16H,3-4H2
InChIKey
KFEBWCYYRFZMTJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
10
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
1
Molar refractivity
70.65
TPSA
114.12

LogP / Solubility

WLOGP
0.72
MLOGP
0.65
XLogP3
0.7
Consensus LogP
0.69
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us