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CAS 139346-57-9 N-Succinimidyl 7-(Diethylamino)coumarin-3-carboxylate molecular structure lightbox
CAS RN: 139346-57-9

N-Succinimidyl 7-(Diethylamino)coumarin-3-carboxylate

Product Availability

Choose a grade to view its available package options.

6 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260217 100mg In stock Shandong Inquiry
Batchno.20250917 500mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250703 100mg Out of stock Inquiry
Batchno.20250730 1g Out of stock Inquiry
Batchno.20260225 250mg Out of stock Inquiry
Batchno.20250204 50mg In stock Shanghai Inquiry
  • Product code: SSC-049799
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 139346-57-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

139346-57-9 / (2,5-dioxopyrrolidin-1-yl) 7-(diethylamino)-2-oxochromene-3-carboxylate

Standard CAS: 139346-57-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
139346-57-9
Multi CAS
No
Molecular Formula
C18H18N2O6
Molecular Weight
358.300000
Exact Mass
358.116486
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)ON3C(=O)CCC3=O
InChI
InChI=1S/C18H18N2O6/c1-3-19(4-2)12-6-5-11-9-13(17(23)25-14(11)10-12)18(24)26-20-15(21)7-8-16(20)22/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKey
NUNPVRICKDZFLK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
10
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
7
Molar refractivity
92.55
TPSA
97.13

LogP / Solubility

WLOGP
1.86
MLOGP
1.66
XLogP3
1.9
Consensus LogP
1.81
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.13
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.59

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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