N-Methylhematoporphyrin
TL;DR: N-Methylhematoporphyrin (CAS 80603-53-8) is a chemical compound with molecular formula C35H40N4O6 and molecular weight 612.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[18-(2-carboxyethyl)-7,12-bis(1-hydroxyethyl)-3,8,13,17,21-pentamethyl-23H-porphyrin-2-yl]propanoic acid
Also Known As: N-Methylhematoporphyrin, 3-[18-(2-carboxyethyl)-7,12-bis(1-hydroxyethyl)-3,8,13,17,21-pentamethyl-23H-porphyrin-2-yl]propanoic acid, 21H,23H-Porphine-2,18-dipropanoic acid, 7,12-bis(1-hydroxyethyl)-3,8,13,17,21-pentamethyl-
| Molecular Formula | C35H40N4O6 |
|---|---|
| Molecular Weight | 612.29 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 612.2948 |
| Heavy Atoms | 45 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 80603-53-8 |
|---|---|
| SMILES | CC1=C(C2=CC3=NC(=CC4=C(C(=C(N4C)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)CCC(=O)O)C)C(=C3C)C(C)O)C(C)O |
| InChIKey | XODXIWOIUCPYKF-UHFFFAOYSA-N |
Product Overview
N-Methylhematoporphyrin (CAS 80603-53-8), with molecular formula C35H40N4O6 and molecular weight 612.29 g/mol. IUPAC: 3-[18-(2-carboxyethyl)-7,12-bis(1-hydroxyethyl)-3,8,13,17,21-pentamethyl-23H-porphyrin-2-yl]propanoic acid.
Chemical Property Profile of N-Methylhematoporphyrin
Property Insights of N-Methylhematoporphyrin
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methylhematoporphyrin. The TPSA of 162.0 Ų indicates high polarity, suggesting N-Methylhematoporphyrin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Methylhematoporphyrin has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Methylhematoporphyrin?
The CAS number of N-Methylhematoporphyrin is 80603-53-8.
What is the molecular formula of N-Methylhematoporphyrin?
The molecular formula of N-Methylhematoporphyrin is C35H40N4O6.
What is the molecular weight of N-Methylhematoporphyrin?
The molecular weight of N-Methylhematoporphyrin is 612.29 g/mol.
Where can I buy N-Methylhematoporphyrin?
You can request a quote for N-Methylhematoporphyrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methylhematoporphyrin?
Yes, KEHONG BIO provides custom synthesis services for N-Methylhematoporphyrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.