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CAS 82101-76-6 Ethyl cis-3-tributylstannyl-2-propenoate molecular structure lightbox
CAS RN: 82101-76-6

Ethyl cis-3-tributylstannyl-2-propenoate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251028 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS82101-76-6
  • Purity/Analytical Methods: >99.0%
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82101-76-6 / ethyl (E)-3-tributylstannylprop-2-enoate

Standard CAS: 82101-76-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
82101-76-6
Multi CAS
Yes
Molecular Formula
C17H34NO2S
Molecular Weight
389.200000
Exact Mass
390.158083
InChI
InChI=1S/C5H7O2.3C4H9.Sn/c1-3-5(6)7-4-2;3*1-3-4-2;/h1,3H,4H2,2H3;3*1,3-4H2,2H3;
InChIKey
XBFWLXIOONPQFL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.82
Rotatable bonds
12
H-bond acceptors
2
Molar refractivity
90.67
TPSA
26.3

LogP / Solubility

WLOGP
5.49
MLOGP
4.86
XLogP3
5.49
Consensus LogP
5.28
Log S (ESOL)
-4.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.72
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.19
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.19

Drug-likeness / Medicinal Chemistry

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

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