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CAS 77820-11-2 7-DIETHYLAMINO-3-THENOYLCOUMARIN molecular structure lightbox
CAS RN: 77820-11-2

7-DIETHYLAMINO-3-THENOYLCOUMARIN

Product Availability

Choose a grade to view its available package options.

7 package records5 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250615 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260305 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250429 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
Batchno.20260329 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260220 200mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251230 1g In stock Shanghai Inquiry
Batchno.20251017 200mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-187346
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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: ＞97%
  • 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 77820-11-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

77820-11-2 / 7-(diethylamino)-3-(thiophene-2-carbonyl)chromen-2-one

Standard CAS: 77820-11-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
77820-11-2
Multi CAS
Yes
Molecular Formula
C18H17NO3S
Molecular Weight
327.400000
Exact Mass
327.092915
InChI
InChI=1S/C18H17NO3S/c1-3-19(4-2)13-8-7-12-10-14(18(21)22-15(12)11-13)17(20)16-6-5-9-23-16/h5-11H,3-4H2,1-2H3
InChIKey
HSYRYXPRQYPBBQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
15
Fraction Csp3
0.22
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
93.8
TPSA
50.52

LogP / Solubility

WLOGP
3.93
MLOGP
3.48
XLogP3
4.3
Consensus LogP
3.9
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.65
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.93

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

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