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CAS 36781-67-6 FEMA 3710 molecular structure lightbox
CAS RN: 36781-67-6

FEMA 3710

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Batchno.20260203 25g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS36781-67-6
  • Purity/Analytical Methods: >99.0%
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36781-67-6 / methyl non-3-enoate

Standard CAS: 36781-67-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
36781-67-6
Multi CAS
Yes
Molecular Formula
C10H18O2
Molecular Weight
170.250000
Exact Mass
170.130680
InChI
InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h7-8H,3-6,9H2,1-2H3/b8-7+
InChIKey
MTDCXFZGUVZRSQ-BQYQJAHWSA-N

Physical Properties

Density
0.880-0.900 (20°)
Physical Description
clear, colourless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.7
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
49.92
TPSA
26.3

LogP / Solubility

WLOGP
2.69
MLOGP
2.36
XLogP3
3.2
Consensus LogP
2.75
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.72
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)
-1.85

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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