CAS RN: 1640126-30-2

Th48-Sn

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260127 100mg In stock Shenzhen, Tianjin Inquiry
Batchno.20250221 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250531 1g In stock Shenzhen Inquiry
Batchno.20250409 250mg In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS1640126-30-2
  • Purity/Analytical Methods: >99.0%
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1640126-30-2 / tributyl-[3-(2-butyloctyl)thiophen-2-yl]stannane

Standard CAS: 1640126-30-2 Multi CAS: No

Basic Information

CAS
1640126-30-2
Multi CAS
No
Molecular Formula
C28H54SSn
Molecular Weight
541.500000
Exact Mass
542.296825
SMILES
CCCCCCC(CCCC)CC1=C(SC=C1)[Sn](CCCC)(CCCC)CCCC
InChI
InChI=1S/C16H27S.3C4H9.Sn/c1-3-5-7-8-10-15(9-6-4-2)13-16-11-12-17-14-16;3*1-3-4-2;/h11-12,15H,3-10,13H2,1-2H3;3*1,3-4H2,2H3;
InChIKey
XUYLYISZDDIEHL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
5
Fraction Csp3
0.86
Rotatable bonds
20
H-bond acceptors
1
Molar refractivity
144.33
TPSA
28.2000

LogP / Solubility

WLOGP
10.12
MLOGP
8.95
XLogP3
10.12
Consensus LogP
9.73
Log S (ESOL)
-8.38
Class (ESOL)
Insoluble
Log S (Ali)
-11.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.98
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)
1.16

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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