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CAS 553-12-8 Protoporphyrin IX molecular structure lightbox
CAS RN: 553-12-8

Protoporphyrin IX

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250501 100mg In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20260522 1g In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20251214 250mg In stock Shanghai, Shandong, Guangdong, Chongqing Inquiry
Batchno.20260606 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-163155
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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 553-12-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

553-12-8 / 3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid

Standard CAS: 553-12-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
553-12-8
Multi CAS
Yes
Molecular Formula
C34H34N4O4
Molecular Weight
562.700000
Exact Mass
562.258006
InChI
InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,35-36H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)
InChIKey
ZCFFYALKHPIRKJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
20
Fraction Csp3
0.24
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
4
Molar refractivity
169.37
TPSA
131.96

LogP / Solubility

WLOGP
7.81
MLOGP
6.92
XLogP3
4.6
Consensus LogP
6.44
Log S (ESOL)
-8.07
Class (ESOL)
Insoluble
Log S (Ali)
-9.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.76
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.61

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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