[email protected]
CAS 57450-62-1 5,10,15,20-tetrakis(4-butoxyphenyl)-Porphine molecular structure lightbox
CAS RN: 57450-62-1

5,10,15,20-tetrakis(4-butoxyphenyl)-Porphine

  • Product code: SSC-165607
GET A QUOTE
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
Request Bulk Quote

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 57450-62-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

57450-62-1 / 5,10,15,20-tetrakis(4-butoxyphenyl)-21,22-dihydroporphyrin

Standard CAS: 57450-62-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
57450-62-1
Multi CAS
Yes
Molecular Formula
C60H62N4O4
Molecular Weight
903.200000
Exact Mass
902.477106
InChI
InChI=1S/C60H62N4O4/c1-5-9-37-65-45-21-13-41(14-22-45)57-49-29-31-51(61-49)58(42-15-23-46(24-16-42)66-38-10-6-2)53-33-35-55(63-53)60(44-19-27-48(28-20-44)68-40-12-8-4)56-36-34-54(64-56)59(52-32-30-50(57)62-52)43-17-25-47(26-18-43)67-39-11-7-3/h13-36,61,64H,5-12,37-40H2,1-4H3
InChIKey
ALIFKTXKRLSRSL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
68
Aromatic heavy atom count
44
Fraction Csp3
0.27
Rotatable bonds
20
H-bond acceptors
6
H-bond donors
2
Molar refractivity
282.21
TPSA
94.28

LogP / Solubility

WLOGP
16.04
MLOGP
14.2
XLogP3
15.3
Consensus LogP
15.18
Log S (ESOL)
-14.7
Class (ESOL)
Insoluble
Log S (Ali)
-18.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-21.24
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)
3.16

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

Customers Also Viewed

Get In Touch

Contact Us