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CAS 14319-13-2 BIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)LEAD(II) molecular structure lightbox
CAS RN: 14319-13-2

BIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)LEAD(II)

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251027 10g Out of stock Inquiry
Batchno.20260302 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250504 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250611 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS14319-13-2
  • Purity/Analytical Methods: >99.0%
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14319-13-2 / tris((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);lanthanum

Standard CAS: 14319-13-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
14319-13-2
Multi CAS
No
Molecular Formula
C33H60LaO6
Molecular Weight
691.700000
Exact Mass
691.345353
SMILES
CC(/C(=C/C(=O)C(C)(C)C)/O)(C)C.CC(/C(=C/C(=O)C(C)(C)C)/O)(C)C.CC(/C(=C/C(=O)C(C)(C)C)/O)(C)C.[La]
InChI
InChI=1S/3C11H20O2.La/c3*1-10(2,3)8(12)7-9(13)11(4,5)6;/h3*7,12H,1-6H3;/b3*8-7-;
InChIKey
VTNJXVDFRGBYJC-LWTKGLMZSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Fraction Csp3
0.73
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
3
Molar refractivity
163.89
TPSA
111.9

LogP / Solubility

WLOGP
9.27
MLOGP
8.22
XLogP3
9.27
Consensus LogP
8.92
Log S (ESOL)
-9.77
Class (ESOL)
Insoluble
Log S (Ali)
-11.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.21
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.36

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (96.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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