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CAS 155773-67-4 Copper(II) 5,9,14,18,23,27,32,36-Octabutoxy-2,3-naphthalocyanine molecular structure lightbox
CAS RN: 155773-67-4

Copper(II) 5,9,14,18,23,27,32,36-Octabutoxy-2,3-naphthalocyanine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250322 200mg In stock Shandong Inquiry
  • Product code: SSC-065037
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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: ≥95%
  • 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 155773-67-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

155773-67-4 / copper 5,12,18,25,31,38,44,51-octabutoxy-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene

Standard CAS: 155773-67-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
155773-67-4
Multi CAS
No
Molecular Formula
C80H88CuN8O8
Molecular Weight
1353.100000
Exact Mass
1351.602109
SMILES
CCCCOC1=C2C=CC=CC2=C(C3=C4[N-]C(=C31)N=C5C6=C(C7=CC=CC=C7C(=C6C(=N5)N=C8C9=C(C1=CC=CC=C1C(=C9C(=NC1=NC(=N4)C2=C(C3=CC=CC=C3C(=C21)OCCCC)OCCCC)[N-]8)OCCCC)OCCCC)OCCCC)OCCCC)OCCCC.[Cu+2]
InChI
InChI=1S/C80H88N8O8.Cu/c1-9-17-41-89-65-49-33-25-26-34-50(49)66(90-42-18-10-2)58-57(65)73-81-74(58)86-76-61-62(70(94-46-22-14-6)54-38-30-29-37-53(54)69(61)93-45-21-13-5)78(83-76)88-80-64-63(71(95-47-23-15-7)55-39-31-32-40-56(55)72(64)96-48-24-16-8)79(84-80)87-77-60-59(75(82-77)85-73)67(91-43-19-11-3)51-35-27-28-36-52(51)68(60)92-44-20-12-4;/h25-40H,9-24,41-48H2,1-8H3;/q-2;+2
InChIKey
JJIWQZDKAOMTKU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
97
Aromatic heavy atom count
56
Fraction Csp3
0.4
Rotatable bonds
32
H-bond acceptors
14
Molar refractivity
387.24
TPSA
179.38

LogP / Solubility

WLOGP
20.17
MLOGP
17.89
XLogP3
20.17
Consensus LogP
19.41
Log S (ESOL)
-19.25
Class (ESOL)
Insoluble
Log S (Ali)
-25.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-29.04
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
3.35

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
10

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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