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CAS 881041-10-7 5-[(3-FORMYLPHENOXY)METHYL]-2-FUROIC ACID molecular structure lightbox
CAS RN: 881041-10-7

5-[(3-FORMYLPHENOXY)METHYL]-2-FUROIC ACID

  • Product code: SSC-198563
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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 881041-10-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

881041-10-7 / 5-[(3-formylphenoxy)methyl]furan-2-carboxylic acid

Standard CAS: 881041-10-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
881041-10-7
Multi CAS
No
Molecular Formula
C13H10O5
Molecular Weight
246.210000
Exact Mass
246.052823
InChI
InChI=1S/C13H10O5/c14-7-9-2-1-3-10(6-9)17-8-11-4-5-12(18-11)13(15)16/h1-7H,8H2,(H,15,16)
InChIKey
BCOINUORALKLTA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.08
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
61.83
TPSA
76.74

LogP / Solubility

WLOGP
2.37
MLOGP
2.09
XLogP3
1.8
Consensus LogP
2.09
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
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)
-2.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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