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CAS 22112-87-4 5,10,15,20-tetra-2-thienyl-Porphine molecular structure lightbox
CAS RN: 22112-87-4

5,10,15,20-tetra-2-thienyl-Porphine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260213 1g Out of stock Inquiry
  • Product code: SSC-106381
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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 22112-87-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

22112-87-4 / 5,10,15,20-tetrathiophen-2-yl-21,23-dihydroporphyrin

Standard CAS: 22112-87-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22112-87-4
Multi CAS
No
Molecular Formula
C36H22N4S4
Molecular Weight
638.900000
Exact Mass
638.072731
SMILES
C1=CSC(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CS7)C8=CC=CS8)C=C4)C9=CC=CS9)N3
InChI
InChI=1S/C36H22N4S4/c1-5-29(41-17-1)33-21-9-11-23(37-21)34(30-6-2-18-42-30)25-13-15-27(39-25)36(32-8-4-20-44-32)28-16-14-26(40-28)35(31-7-3-19-43-31)24-12-10-22(33)38-24/h1-20,37,40H
InChIKey
QTBZIEZZDWDDFD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
40
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
192.11
TPSA
57.36

LogP / Solubility

WLOGP
11.57
MLOGP
10.23
XLogP3
9.3
Consensus LogP
10.37
Log S (ESOL)
-11.5
Class (ESOL)
Insoluble
Log S (Ali)
-13.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.9
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.6

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10

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