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CAS 711014-40-3 (R)-3-Isobutylmorpholine molecular structure lightbox
CAS RN: 711014-40-3

(R)-3-Isobutylmorpholine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260211 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS711014-40-3
  • Purity/Analytical Methods: >99.0%
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711014-40-3 / 3-(2-methylpropyl)morpholine

Standard CAS: 711014-40-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
711014-40-3
Multi CAS
Yes
Molecular Formula
C8H17NO
Molecular Weight
143.230000
Exact Mass
143.131014
InChI
InChI=1S/C8H17NO/c1-7(2)5-8-6-10-4-3-9-8/h7-9H,3-6H2,1-2H3/t8-/m1/s1
InChIKey
INIRYZSIQPENMR-MRVPVSSYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.06
TPSA
21.26

LogP / Solubility

WLOGP
1.02
MLOGP
0.89
XLogP3
1.2
Consensus LogP
1.04
Log S (ESOL)
-1.24
Class (ESOL)
Soluble
Log S (Ali)
-1.47
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
Class (SILICOS-IT)
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)
-2.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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