[email protected]
CAS 84097-37-0 Zinc, [29H,31H-phthalocyanine-2,9,16,23-tetraminato(2-)-κN29,κN30,κN31,κN32]-, (SP-4-1)- molecular structure lightbox
CAS RN: 84097-37-0

Zinc, [29H,31H-phthalocyanine-2,9,16,23-tetraminato(2-)-κN29,κN30,κN31,κN32]-, (SP-4-1)-

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251210 100mg In stock Shanghai Inquiry
Batchno.20250414 100mg / 250mg Confirm by inquiry Shanghai Inquiry
Batchno.20250619 1g In stock Shanghai Inquiry
Batchno.20260411 250mg In stock Shanghai Inquiry
Batchno.20260630 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS84097-37-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

84097-37-0 / zinc 2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene-6,15,24,33-tetramine

Standard CAS: 84097-37-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
84097-37-0
Multi CAS
Yes
Molecular Formula
C32H20N12Zn
Molecular Weight
638.000000
Exact Mass
636.122530
InChI
InChI=1S/C32H20N12.Zn/c33-13-1-5-17-21(9-13)29-37-25(17)41-30-22-10-14(34)2-6-18(22)27(38-30)43-32-24-12-16(36)4-8-20(24)28(40-32)44-31-23-11-15(35)3-7-19(23)26(39-31)42-29;/h1-12H,33-36H2;/q-2;+2
InChIKey
UOTOIJASJLCEQN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
45
Aromatic heavy atom count
40
H-bond acceptors
10
H-bond donors
4
Molar refractivity
171.64
TPSA
209.62

LogP / Solubility

WLOGP
4.45
MLOGP
3.97
XLogP3
4.45
Consensus LogP
4.29
Log S (ESOL)
-7.26
Class (ESOL)
Insoluble
Log S (Ali)
-8.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.5
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

Customers Also Viewed

Get In Touch

Contact Us