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CAS 123656-35-9 2,2-Dimethyl-2,3-dihydrobenzofuran-4-carboxylic acid molecular structure lightbox
CAS RN: 123656-35-9

2,2-Dimethyl-2,3-dihydrobenzofuran-4-carboxylic acid

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250627 100mg Out of stock Inquiry
Batchno.20250505 1g Out of stock Inquiry
Batchno.20250717 250mg Out of stock Inquiry
  • Product code: SSC-027404
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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: 0.25g
  • Available purity: ≥95%
  • 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 123656-35-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

123656-35-9 / 2,2-dimethyl-3H-1-benzofuran-4-carboxylic acid

Standard CAS: 123656-35-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
123656-35-9
Multi CAS
No
Molecular Formula
C11H12O3
Molecular Weight
192.210000
Exact Mass
192.078644
SMILES
CC1(CC2=C(C=CC=C2O1)C(=O)O)C
InChI
InChI=1S/C11H12O3/c1-11(2)6-8-7(10(12)13)4-3-5-9(8)14-11/h3-5H,6H2,1-2H3,(H,12,13)
InChIKey
NVTPSSIGWHVYGN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.81
TPSA
46.53

LogP / Solubility

WLOGP
2.1
MLOGP
1.85
XLogP3
2.1
Consensus LogP
2.02
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
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)
-2.4

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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