[email protected]
CAS 14285-56-4 IRON(III) PHTHALOCYANINE CHLORIDE molecular structure lightbox
CAS RN: 14285-56-4

IRON(III) PHTHALOCYANINE CHLORIDE

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250302 1g In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20260414 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20260107 25g In stock Shanghai Inquiry
Batchno.20251113 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: starshine_CAS14285-56-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

14285-56-4 / 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(36),2,4,6,8,10,12,14,16,19,21,23,25,27,29,31,34-heptadecaene;iron(3+);chloride

Standard CAS: 14285-56-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14285-56-4
Multi CAS
No
Molecular Formula
C32H20ClFeN8
Molecular Weight
607.900000
Exact Mass
607.084881
SMILES
C1C=CC2=C3NC(=NC4=C5C=CC=CC5=C([N-]4)N=C6C7C=CC=CC7=C(N6)N=C8C9=CC=CC=C9C(=N3)[N-]8)C2=C1.[Cl-].[Fe+3]
InChI
InChI=1S/C32H20N8.ClH.Fe/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;;/h1-7,9-16,18H,8H2,(H2-,33,34,36,37,38,39,40);1H;/q-2;;+3/p-1
InChIKey
OOQSGNOINFUNFQ-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
23
Fraction Csp3
0.06
H-bond acceptors
5
H-bond donors
2
Molar refractivity
154.88
TPSA
105.46

LogP / Solubility

WLOGP
0.56
MLOGP
0.54
XLogP3
0.56
Consensus LogP
0.55
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.03

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
10

Customers Also Viewed

Get In Touch

Contact Us