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CAS 17696-69-4 HEMATOPORPHYRIN DIHYDROCHLORIDE molecular structure lightbox
CAS RN: 17696-69-4

HEMATOPORPHYRIN DIHYDROCHLORIDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251113 100mg / 250mg / 1g Confirm by inquiry Shanghai, Hebei Inquiry
  • Product code: SSC-077409
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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 17696-69-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

17696-69-4 / 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid;dihydrochloride

Standard CAS: 17696-69-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17696-69-4
Multi CAS
No
Molecular Formula
C34H40Cl2N4O6
Molecular Weight
671.600000
Exact Mass
670.232490
SMILES
CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C(C)O)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C(C)O.Cl.Cl
InChI
InChI=1S/C34H38N4O6.2ClH/c1-15-21(7-9-31(41)42)27-14-28-22(8-10-32(43)44)16(2)24(36-28)12-29-34(20(6)40)18(4)26(38-29)13-30-33(19(5)39)17(3)25(37-30)11-23(15)35-27;;/h11-14,19-20,37-40H,7-10H2,1-6H3,(H,41,42)(H,43,44);2*1H
InChIKey
WZQQOXSHARXAID-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Aromatic heavy atom count
20
Fraction Csp3
0.35
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
6
Molar refractivity
184.95
TPSA
172.42

LogP / Solubility

WLOGP
7.47
MLOGP
6.63
XLogP3
7.47
Consensus LogP
7.19
Log S (ESOL)
-8.51
Class (ESOL)
Insoluble
Log S (Ali)
-10.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.19
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)
-1.51

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.

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