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CAS 67883-79-8 cis-3-Hexen-1-yl Tiglate molecular structure lightbox
CAS RN: 67883-79-8

cis-3-Hexen-1-yl Tiglate

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6 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260523 100ml In stock Inquiry
Batchno.20250919 1ml In stock Inquiry
Batchno.20260604 25ml In stock Inquiry
Batchno.20251215 500ml Out of stock Inquiry
Batchno.20250416 5ml In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260531 25ml Out of stock 8-10 business days Inquiry
  • Product code: ICTT0934
  • Purity/Analytical Methods: >97.0%(GC)
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67883-79-8 / hex-3-enyl 2-methylbut-2-enoate

Standard CAS: 67883-79-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
67883-79-8
Multi CAS
Yes
Molecular Formula
C11H18O2
Molecular Weight
182.260000
Exact Mass
182.130680
InChI
InChI=1S/C11H18O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5-7H,4,8-9H2,1-3H3
InChIKey
JNWQKXUWZWKUAY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.55
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
54.44
TPSA
26.3

LogP / Solubility

WLOGP
2.85
MLOGP
2.51
XLogP3
3.1
Consensus LogP
2.82
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
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)
-1.81

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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