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CAS 1252555-61-5 IDT‐nC6 molecular structure lightbox
CAS RN: 1252555-61-5

IDT‐nC6

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260118 100mg In stock Shenzhen, Tianjin Inquiry
Batchno.20251213 1g In stock Tianjin, Wuhan Inquiry
Batchno.20260525 250mg In stock Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20251004 5g Out of stock Inquiry
  • Product code: SSC-029963
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1252555-61-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1252555-61-5 / trimethyl-[9,9,18,18-tetrakis(4-hexylphenyl)-15-trimethylstannyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]stannane

Standard CAS: 1252555-61-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1252555-61-5
Multi CAS
No
Molecular Formula
C70H90S2Sn2
Molecular Weight
1233.000000
Exact Mass
1232.452200
SMILES
CCCCCCC1=CC=C(C=C1)C2(C3=CC4=C(C=C3C5=C2C=C(S5)[Sn](C)(C)C)C(C6=C4SC(=C6)[Sn](C)(C)C)(C7=CC=C(C=C7)CCCCCC)C8=CC=C(C=C8)CCCCCC)C9=CC=C(C=C9)CCCCCC
InChI
InChI=1S/C64H72S2.6CH3.2Sn/c1-5-9-13-17-21-47-25-33-51(34-26-47)63(52-35-27-48(28-36-52)22-18-14-10-6-2)57-41-43-65-61(57)55-46-60-56(45-59(55)63)62-58(42-44-66-62)64(60,53-37-29-49(30-38-53)23-19-15-11-7-3)54-39-31-50(32-40-54)24-20-16-12-8-4;;;;;;;;/h25-42,45-46H,5-24H2,1-4H3;6*1H3;;
InChIKey
CDIPDJJRVQRBAX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
74
Aromatic heavy atom count
40
Fraction Csp3
0.46
Rotatable bonds
26
H-bond acceptors
2
Molar refractivity
334.15
TPSA
56.5000

LogP / Solubility

WLOGP
20.12
MLOGP
17.83
XLogP3
20.12
Consensus LogP
19.36
Log S (ESOL)
-18.84
Class (ESOL)
Insoluble
Log S (Ali)
-24.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-27.49
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
4.04

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
7

Safety & Transport

Pictogram(s)
Acute Toxic Environmental Hazard
Signal
Danger
GHS Hazard Statements
H300+H310+H330 (100%): Fatal if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral] H310 (100%): Fatal in contact with skin [Danger Acute toxicity, dermal] H330 (100%): Fatal if inhaled [Danger Acute toxicity, inhalation] H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P391, P403+P233, P405, and P501

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