Pentacarboxylporphyrin I
TL;DR: Pentacarboxylporphyrin I (CAS 34460-70-3) is a chemical compound with molecular formula C37H38N4O10 and molecular weight 698.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[8,13,18-tris(2-carboxyethyl)-17-(carboxymethyl)-3,7,12-trimethyl-21,24-dihydroporphyrin-2-yl]propanoic acid
Also Known As: Pentacarboxyporphyrin, Pentaporphyrin III, Pentacarboxylic porphyrin, Pentacarboxylporphyrin I, Pentacarboxyporphyrin I
| Molecular Formula | C37H38N4O10 |
|---|---|
| Molecular Weight | 698.26 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 244.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 14 |
| Exact Mass | 698.2588 |
| Heavy Atoms | 51 |
| Complexity | 1280.0 |
Chemical Identifiers
| CAS Number | 34460-70-3 |
|---|---|
| SMILES | CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)C)CCC(=O)O)CC(=O)O)CCC(=O)O)CCC(=O)O |
| InChIKey | YDYIPLSPVWGSRD-UHFFFAOYSA-N |
Product Overview
Pentacarboxylporphyrin I (CAS 34460-70-3), with molecular formula C37H38N4O10 and molecular weight 698.26 g/mol. IUPAC: 3-[8,13,18-tris(2-carboxyethyl)-17-(carboxymethyl)-3,7,12-trimethyl-21,24-dihydroporphyrin-2-yl]propanoic acid.
Chemical Property Profile of Pentacarboxylporphyrin I
Property Insights of Pentacarboxylporphyrin I
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentacarboxylporphyrin I. The TPSA of 244.0 Ų indicates high polarity, suggesting Pentacarboxylporphyrin I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pentacarboxylporphyrin I has 7 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentacarboxylporphyrin I?
The CAS number of Pentacarboxylporphyrin I is 34460-70-3.
What is the molecular formula of Pentacarboxylporphyrin I?
The molecular formula of Pentacarboxylporphyrin I is C37H38N4O10.
What is the molecular weight of Pentacarboxylporphyrin I?
The molecular weight of Pentacarboxylporphyrin I is 698.26 g/mol.
Where can I buy Pentacarboxylporphyrin I?
You can request a quote for Pentacarboxylporphyrin I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentacarboxylporphyrin I?
Yes, KEHONG BIO provides custom synthesis services for Pentacarboxylporphyrin I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.