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CAS 33842-16-9 Methyl 1,3-benzodioxole-4-carboxylate molecular structure lightbox
CAS RN: 33842-16-9

Methyl 1,3-benzodioxole-4-carboxylate

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260329 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250129 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250517 1g / 5g / 50g Out of stock 8-10 business days Inquiry
Batchno.20251211 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260425 5g In stock Shanghai Inquiry
  • Product code: SSC-139989
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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, 5g
  • 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 33842-16-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry

33842-16-9 / methyl 1,3-benzodioxole-4-carboxylate

Standard CAS: 33842-16-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
33842-16-9
Multi CAS
Yes
Molecular Formula
C9H8O4
Molecular Weight
180.160000
Exact Mass
180.042259
InChI
InChI=1S/C9H8O4/c1-11-9(10)6-3-2-4-7-8(6)13-5-12-7/h2-4H,5H2,1H3
InChIKey
KRPFJCUXHWEVMS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
43.9
TPSA
44.76

LogP / Solubility

WLOGP
1.2
MLOGP
1.06
XLogP3
1.6
Consensus LogP
1.29
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
Class (SILICOS-IT)
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)
-2.97

Drug-likeness / Medicinal Chemistry

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

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