[email protected]
CAS 13099-95-1 2-ETHOXYCARBONYL-3-COUMARANONE molecular structure lightbox
CAS RN: 13099-95-1

2-ETHOXYCARBONYL-3-COUMARANONE

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251018 1g / 5g / 10g / 25g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250120 1g In stock Inquiry
Batchno.20250825 250mg In stock Inquiry
Batchno.20250117 5g In stock Inquiry
  • Product code: SSC-037553
GET A QUOTE
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
Request Bulk Quote

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 13099-95-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

13099-95-1 / ethyl 3-oxo-1-benzofuran-2-carboxylate

Standard CAS: 13099-95-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13099-95-1
Multi CAS
No
Molecular Formula
C11H10O4
Molecular Weight
206.190000
Exact Mass
206.057909
SMILES
CCOC(=O)C1C(=O)C2=CC=CC=C2O1
InChI
InChI=1S/C11H10O4/c1-2-14-11(13)10-9(12)7-5-3-4-6-8(7)15-10/h3-6,10H,2H2,1H3
InChIKey
XWUJHOIEDXGRML-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
51.82
TPSA
52.6

LogP / Solubility

WLOGP
1.19
MLOGP
1.05
XLogP3
2
Consensus LogP
1.41
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.13

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
2

Customers Also Viewed

Get In Touch

Contact Us