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CAS 615-12-3 Isoamyl 2-Furancarboxylate (contains 2-Methylbutyl 2-Furancarboxylate) molecular structure lightbox
CAS RN: 615-12-3

Isoamyl 2-Furancarboxylate (contains 2-Methylbutyl 2-Furancarboxylate)

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260617 25ml In stock Shanghai Inquiry
Batchno.20260402 5ml Out of stock 8-10 business days Inquiry
  • Product code: ICTF0156
  • Purity/Analytical Methods: >80.0%(GC)
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615-12-3 / 3-methylbutyl furan-2-carboxylate

Standard CAS: 615-12-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
615-12-3
Multi CAS
Yes
Molecular Formula
C10H14O3
Molecular Weight
182.220000
Exact Mass
182.094294
InChI
InChI=1S/C10H14O3/c1-8(2)5-7-13-10(11)9-4-3-6-12-9/h3-4,6,8H,5,7H2,1-2H3
InChIKey
FPBZWZKAUPNMMV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
48.45
TPSA
39.44

LogP / Solubility

WLOGP
2.48
MLOGP
2.18
XLogP3
2.8
Consensus LogP
2.49
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.38
Class (SILICOS-IT)
Poorly 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)
-2.07

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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