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CAS 1718-52-1 Pyrene D10 solution, 100ng/μL in cyclohexane molecular structure lightbox
CAS RN: 1718-52-1

Pyrene D10 solution, 100ng/μL in cyclohexane

  • Product code: SSC-075610
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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 1718-52-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1718-52-1 / 1,2,3,4,5,6,7,8,9,10-decadeuteriopyrene

Standard CAS: 1718-52-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1718-52-1
Multi CAS
No
Molecular Formula
C16H10
Molecular Weight
212.310000
Exact Mass
212.141018
SMILES
[2H]C1=C(C2=C3C(=C1[2H])C(=C(C4=C(C(=C(C(=C43)C(=C2[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H]
InChI
InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D
InChIKey
BBEAQIROQSPTKN-LHNTUAQVSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
16
Molar refractivity
70.15
TPSA
0.0000

LogP / Solubility

WLOGP
4.58
MLOGP
4.03
XLogP3
4.9
Consensus LogP
4.5
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.78
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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