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CAS 3915-83-1 FEMA 2778 molecular structure lightbox
CAS RN: 3915-83-1

FEMA 2778

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251009 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS3915-83-1
  • Purity/Analytical Methods: >99.0%
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3915-83-1 / 3,7-dimethylocta-2,6-dienyl 3-methylbutanoate

Standard CAS: 3915-83-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3915-83-1
Multi CAS
Yes
Molecular Formula
C15H26O2
Molecular Weight
238.370000
Exact Mass
238.193280
InChI
InChI=1S/C15H26O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,9,13H,6,8,10-11H2,1-5H3
InChIKey
SOUKTGNMIRUIQN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.67
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
72.84
TPSA
26.3

LogP / Solubility

WLOGP
4.27
MLOGP
3.76
XLogP3
4.7
Consensus LogP
4.24
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.59
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.14

Drug-likeness / Medicinal Chemistry

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

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