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CAS 652154-11-5 5 10 15 20-TETRAPHENYL-21H 23H-PORPHINE& molecular structure lightbox
CAS RN: 652154-11-5

5 10 15 20-TETRAPHENYL-21H 23H-PORPHINE&

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4 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251121 100mg Out of stock Inquiry
Batchno.20250801 1g Out of stock Inquiry
Batchno.20251104 250mg Out of stock Inquiry
Batchno.20260427 25mg / 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: starshine_CAS652154-11-5
  • Purity/Analytical Methods: >99.0%
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652154-11-5 / tetrasodium;4-[10,15,20-tris(4-sulfonatophenyl)-21,24-dihydroporphyrin-5-yl]benzenesulfonate;hydrate

Standard CAS: 652154-11-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
652154-11-5
Multi CAS
Yes
Molecular Formula
C44H28N4NA4O13S4
Molecular Weight
1040.900000
Exact Mass
1040.012649
InChI
InChI=1S/C44H30N4O12S4.4Na.H2O/c49-61(50,51)29-9-1-25(2-10-29)41-33-17-19-35(45-33)42(26-3-11-30(12-4-26)62(52,53)54)37-21-23-39(47-37)44(28-7-15-32(16-8-28)64(58,59)60)40-24-22-38(48-40)43(36-20-18-34(41)46-36)27-5-13-31(14-6-27)63(55,56)57;;;;;/h1-24,45,48H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;;;1H2/q;4*+1;/p-4
InChIKey
LMNVUEGSCDLLCZ-UHFFFAOYSA-J

Computed Properties

Structural Parameters

Heavy atom count
69
Aromatic heavy atom count
44
Rotatable bonds
8
H-bond acceptors
14
H-bond donors
2
Molar refractivity
236.07
TPSA
317.66

LogP / Solubility

WLOGP
-5.87
MLOGP
-5.06
XLogP3
-5.87
Consensus LogP
-5.6
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.52
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
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)
-13.24

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

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