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CAS 117620-77-6 3-CYANO-7-ETHOXYCOUMARIN molecular structure lightbox
CAS RN: 117620-77-6

3-CYANO-7-ETHOXYCOUMARIN

Product Availability

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12 package records11 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250511 10mg In stock Inquiry
Batchno.20250319 250mg In stock Inquiry
Batchno.20260125 50mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250802 100mg In stock Shanghai Inquiry
Batchno.20260412 10mg In stock Shanghai Inquiry
Batchno.20251103 1g In stock Shanghai Inquiry
Batchno.20250630 1mg In stock Shanghai, Wuhan Inquiry
Batchno.20250423 250mg In stock Shanghai Inquiry
Batchno.20260224 25mg In stock Shanghai Inquiry
Batchno.20250718 50mg In stock Shanghai Inquiry
Batchno.20250912 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250926 10mg / 25mg / 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-017465
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 117620-77-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Shanghai Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g -- 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g -- 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Beijing Inquiry

117620-77-6 / 7-ethoxy-2-oxochromene-3-carbonitrile

3-Cyano-7-ethoxycoumarin | 3-Cetc | 7-ethoxy-2-oxochromene-3-carbonitrile

Standard CAS: 117620-77-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
117620-77-6
Multi CAS
Yes
Molecular Formula
C12H9NO3
Molecular Weight
215.200000
Exact Mass
215.058243
SMILES
CCOC1=CC2=C(C=C1)C=C(C(=O)O2)C#N
InChI
InChI=1S/C12H9NO3/c1-2-15-10-4-3-8-5-9(7-13)12(14)16-11(8)6-10/h3-6H,2H2,1H3
InChIKey
YAFGHMIAFYQSCF-UHFFFAOYSA-N
Synonyms
3-Cyano-7-ethoxycoumarin 3-Cetc 7-ethoxy-2-oxochromene-3-carbonitrile 2H-1-Benzopyran-3-carbonitrile, 7-ethoxy-2-oxo- 997LV3DUS7

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
58.37
TPSA
63.23

LogP / Solubility

WLOGP
2.06
MLOGP
1.82
XLogP3
2.2
Consensus LogP
2.03
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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