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CAS 90345-66-7 5-ACETOXYMETHYL-2-FURANCARBOXYLIC ACID molecular structure lightbox
CAS RN: 90345-66-7

5-ACETOXYMETHYL-2-FURANCARBOXYLIC ACID

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260609 1g In stock Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260425 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250630 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS90345-66-7
  • Purity/Analytical Methods: >99.0%
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90345-66-7 / 5-(acetyloxymethyl)furan-2-carboxylic acid

Standard CAS: 90345-66-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
90345-66-7
Multi CAS
No
Molecular Formula
C8H8O5
Molecular Weight
184.150000
Exact Mass
184.037173
InChI
InChI=1S/C8H8O5/c1-5(9)12-4-6-2-3-7(13-6)8(10)11/h2-3H,4H2,1H3,(H,10,11)
InChIKey
VEHIMKWMEKVUMD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
41.14
TPSA
76.74

LogP / Solubility

WLOGP
1.04
MLOGP
0.91
XLogP3
0.6
Consensus LogP
0.85
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.08
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)
-3.1

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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