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CAS 41519-23-7 cis-3-Hexenyl Isobutyrate molecular structure lightbox
CAS RN: 41519-23-7

cis-3-Hexenyl Isobutyrate

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250822 100ml In stock Shandong Inquiry
Batchno.20250315 25ml In stock Shanghai, Shandong Inquiry
Batchno.20250313 500ml In stock Shanghai Inquiry
Batchno.20250805 5ml In stock Hebei Inquiry
  • Product code: ICTB1035
  • Purity/Analytical Methods: >95.0%(GC)
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41519-23-7 / hex-3-enyl 2-methylpropanoate

Standard CAS: 41519-23-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
41519-23-7
Multi CAS
Yes
Molecular Formula
C10H18O2
Molecular Weight
170.250000
Exact Mass
170.130680
InChI
InChI=1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h5-6,9H,4,7-8H2,1-3H3
InChIKey
OSMAJVWUIUORGC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.7
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
49.85
TPSA
26.3

LogP / Solubility

WLOGP
2.54
MLOGP
2.23
XLogP3
2.9
Consensus LogP
2.56
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.48
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)
-1.95

Drug-likeness / Medicinal Chemistry

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

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