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CAS 5076-10-8 ACETIC ACID 5-ACETOXYMETHYL-FURAN-2-YLMETHYL ESTER molecular structure lightbox
CAS RN: 5076-10-8

ACETIC ACID 5-ACETOXYMETHYL-FURAN-2-YLMETHYL ESTER

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260301 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS5076-10-8
  • Purity/Analytical Methods: >99.0%
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5076-10-8 / [5-(acetyloxymethyl)furan-2-yl]methyl acetate

Standard CAS: 5076-10-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5076-10-8
Multi CAS
Yes
Molecular Formula
C10H12O5
Molecular Weight
212.200000
Exact Mass
212.068473
InChI
InChI=1S/C10H12O5/c1-7(11)13-5-9-3-4-10(15-9)6-14-8(2)12/h3-4H,5-6H2,1-2H3
InChIKey
UQYIJQXDRBKHBG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
49.65
TPSA
65.74

LogP / Solubility

WLOGP
1.41
MLOGP
1.24
XLogP3
0.4
Consensus LogP
1.02
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
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)
-3.02

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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