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CAS 57412-08-5 Phenol, 4-[10,15,20-tris(4-methylphenyl)-21H,23H-porphin-5-yl]- molecular structure lightbox
CAS RN: 57412-08-5

Phenol, 4-[10,15,20-tris(4-methylphenyl)-21H,23H-porphin-5-yl]-

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260523 100mg In stock Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20251215 1g Out of stock Inquiry
Batchno.20251014 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250211 50mg In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260101 50mg / 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS57412-08-5
  • Purity/Analytical Methods: >99.0%
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57412-08-5 / 4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenol

Standard CAS: 57412-08-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
57412-08-5
Multi CAS
No
Molecular Formula
C47H36N4O
Molecular Weight
672.800000
Exact Mass
672.288912
InChI
InChI=1S/C47H36N4O/c1-28-4-10-31(11-5-28)44-36-20-22-38(48-36)45(32-12-6-29(2)7-13-32)40-24-26-42(50-40)47(34-16-18-35(52)19-17-34)43-27-25-41(51-43)46(39-23-21-37(44)49-39)33-14-8-30(3)9-15-33/h4-27,48,51-52H,1-3H3
InChIKey
UMDDEGXFFTXCNF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
52
Aromatic heavy atom count
44
Fraction Csp3
0.06
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
216.48
TPSA
77.59

LogP / Solubility

WLOGP
11.95
MLOGP
10.58
XLogP3
11.1
Consensus LogP
11.21
Log S (ESOL)
-11.91
Class (ESOL)
Insoluble
Log S (Ali)
-13.71
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.44
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)
1.66

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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