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CAS 3781-69-9 ETHYL 4-HYDROXY-3-METHYLBENZOFURAN-2-CARBOXYLATE molecular structure lightbox
CAS RN: 3781-69-9

ETHYL 4-HYDROXY-3-METHYLBENZOFURAN-2-CARBOXYLATE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260413 100mg / 250mg / 1g / 5g Out of stock 3-5 business days Inquiry
  • Product code: SSC-145257
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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, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 3781-69-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry
1g >97% 1 In Stock Shanghai Inquiry
5g >97% 1 In Stock Shenzhen Inquiry
10g >97% 1 In Stock Shenzhen Inquiry
25g >97% 0 Out of Stock Beijing Inquiry

3781-69-9 / ethyl 4-hydroxy-3-methyl-1-benzofuran-2-carboxylate

Standard CAS: 3781-69-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3781-69-9
Multi CAS
No
Molecular Formula
C12H12O4
Molecular Weight
220.220000
Exact Mass
220.073559
InChI
InChI=1S/C12H12O4/c1-3-15-12(14)11-7(2)10-8(13)5-4-6-9(10)16-11/h4-6,13H,3H2,1-2H3
InChIKey
NBTXBAOGAXOKEV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.57
TPSA
59.67

LogP / Solubility

WLOGP
2.62
MLOGP
2.31
XLogP3
2.9
Consensus LogP
2.61
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
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)
-2.2

Drug-likeness / Medicinal Chemistry

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

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