CAS RN: 29910-14-3

Hydroxydimethyltin oleate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250113 25g / 100g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS29910-14-3
  • Purity/Analytical Methods: >99.0%
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29910-14-3 / Hydroxydimethyltin oleate

Standard CAS: 29910-14-3 Multi CAS: Yes

Basic Information

CAS
29910-14-3
Multi CAS
Yes
Molecular Formula
C20H41NO3S
Molecular Weight
448.200000
Exact Mass
449.207773
InChI
InChI=1S/C18H34O2.2CH3.H2O.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;;/h9-10H,2-8,11-17H2,1H3,(H,19,20);2*1H3;1H2;/q;;;;+1/p-1/b10-9-;;;;
InChIKey
KKKWINSIHWRVCQ-HKIWRJGFSA-M

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.85
Rotatable bonds
16
H-bond acceptors
2
H-bond donors
1
Molar refractivity
106.64
TPSA
57.8

LogP / Solubility

WLOGP
5.99
MLOGP
5.3
XLogP3
5.99
Consensus LogP
5.76
Log S (ESOL)
-5.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.56
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.47
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-1.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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