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CAS 359436-89-8 7-Methoxycoumarin-4-acetic Acid N-Succinimidyl Ester molecular structure lightbox
CAS RN: 359436-89-8

7-Methoxycoumarin-4-acetic Acid N-Succinimidyl Ester

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250716 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS359436-89-8
  • Purity/Analytical Methods: >99.0%
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359436-89-8 / (2,5-dioxopyrrolidin-1-yl) 2-(7-methoxy-2-oxochromen-4-yl)acetate

Standard CAS: 359436-89-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
359436-89-8
Multi CAS
Yes
Molecular Formula
C16H13NO7
Molecular Weight
331.280000
Exact Mass
331.069202
InChI
InChI=1S/C16H13NO7/c1-22-10-2-3-11-9(6-15(20)23-12(11)8-10)7-16(21)24-17-13(18)4-5-14(17)19/h2-3,6,8H,4-5,7H2,1H3
InChIKey
XYBYCKCNAJSBQE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
10
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
7
Molar refractivity
79.92
TPSA
103.12

LogP / Solubility

WLOGP
0.95
MLOGP
0.85
XLogP3
0.3
Consensus LogP
0.7
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.08
Class (SILICOS-IT)
Poorly 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)
-4.07

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

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