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CAS 24351-54-0 2-BIPHENYL-[1,3]DIOXOL-5-YL-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 24351-54-0

2-BIPHENYL-[1,3]DIOXOL-5-YL-CARBOXYLIC ACID

  • Product code: SSC-118633
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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: ≥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 24351-54-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

24351-54-0 / 2-(1,3-benzodioxol-5-yl)benzoic acid

Standard CAS: 24351-54-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24351-54-0
Multi CAS
No
Molecular Formula
C14H10O4
Molecular Weight
242.230000
Exact Mass
242.057909
SMILES
C1OC2=C(O1)C=C(C=C2)C3=CC=CC=C3C(=O)O
InChI
InChI=1S/C14H10O4/c15-14(16)11-4-2-1-3-10(11)9-5-6-12-13(7-9)18-8-17-12/h1-7H,8H2,(H,15,16)
InChIKey
PEOCCFXRLGYKBM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.96
TPSA
55.76

LogP / Solubility

WLOGP
2.78
MLOGP
2.45
XLogP3
2.7
Consensus LogP
2.64
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
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)
-2.22

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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