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CAS 215057-28-6 2,3-Dihydro-1-benzofuran-5-propanoic acid molecular structure lightbox
CAS RN: 215057-28-6

2,3-Dihydro-1-benzofuran-5-propanoic acid

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251022 1g In stock Inquiry
Batchno.20260316 250mg In stock Inquiry
Batchno.20250619 25g In stock Inquiry
Batchno.20250924 5g In stock Inquiry
  • Product code: SSC-103088
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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
  • 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 215057-28-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

215057-28-6 / 3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid

Standard CAS: 215057-28-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
215057-28-6
Multi CAS
No
Molecular Formula
C11H12O3
Molecular Weight
192.210000
Exact Mass
192.078644
SMILES
C1COC2=C1C=C(C=C2)CCC(=O)O
InChI
InChI=1S/C11H12O3/c12-11(13)4-2-8-1-3-10-9(7-8)5-6-14-10/h1,3,7H,2,4-6H2,(H,12,13)
InChIKey
DPQFYUVHQLRVGR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.6
TPSA
46.53

LogP / Solubility

WLOGP
1.64
MLOGP
1.44
XLogP3
1.7
Consensus LogP
1.59
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
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)
-2.73

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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