TL;DR: Ortho-thpp (CAS 25186-28-1) is a chemical compound with molecular formula C44H30N4O4 and molecular weight 678.2267 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6Z)-6-[(10Z,14Z,20E)-10,15-bis(2-hydroxyphenyl)-20-(6-oxocyclohexa-2,4-dien-1-ylidene)-21,22,23,24-tetrahydroporphyrin-5-ylidene]cyclohexa-2,4-dien-1-one
Also Known As: Ortho-thpp, 5,10,15,20-Tetra(2-hydroxyphenyl)porphyrin, (6E)-6-[(10Z,14Z,20Z)-10,15-bis(2-hydroxyphenyl)-20-(6-oxocyclohexa-2,4-dien-1-ylidene)-21,22,23,24-tetrahydroporphyrin-5-ylidene]cyclohexa-2,4-dien-1-one
| Molecular Formula | C44H30N4O4 |
| Molecular Weight | 678.2267 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 134.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 678.2267 Da |
| Heavy Atoms | 52 |
| Complexity | 1660.0 |
| SMILES | C1=CC=C(C(=C1)/C/2=C/3\C=C/C(=C(/C4=CC=C(N4)/C(=C\5/C=CC=CC5=O)/C6=CC=C(N6)/C(=C\7/C=CC=CC7=O)/C8=CC=C2N8)\C9=CC=CC=C9O)/N3)O |
| InChIKey | YTKIBFANFZGLRT-DJPVCWBHSA-N |
The XLogP value of 6.2 indicates that Ortho-thpp is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ortho-thpp. Following Lipinski's Rule of Five, Ortho-thpp has 6 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Ortho-thpp is 25186-28-1.
The molecular formula of Ortho-thpp is C44H30N4O4.
The molecular weight of Ortho-thpp is 678.2267 g/mol.
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