血红素A
TL;DR: 血红素A (CAS 18535-39-2) is a chemical compound with molecular formula C49H62FeN4O6 and molecular weight 858.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
血红素A
3-[(17Z)-18-(2-carboxylatoethyl)-7-ethenyl-12-(1-hydroxy-5,9,13-trimethyltetradecyl)-3,8,13-trimethyl-17-(oxidomethylidene)porphyrin-21-id-2-yl]propanoate;hydron;iron(2+)
Also Known As: heme a, Heme a3, 3-[(17Z)-18-(2-carboxylatoethyl)-7-ethenyl-12-(1-hydroxy-5,9,13-trimethyltetradecyl)-3,8,13-trimethyl-17-(oxidomethylidene)porphyrin-21-id-2-yl]propanoate;hydron;iron(2+), 3-[(17Z)-7-ethenyl-12-(1-hydroxy-5,9,13-trimethyltetradecyl)-3,8,13-trimethyl-17-(oxidomethylidene)-18-(3-oxido-3-oxopropyl)porphyrin-21-id-2-yl]propanoate; hydron; iron(2+), Ferrate(2-), (7-ethenyl-17-formyl-12-(1-hydroxy-5,9,13-trimethyltetradecyl)-3,8,13-trimethyl-21H,23H-porphine-2,18-dipropanoato(4-)-N21,N22,N23,N24)-, dihydrogen
| Molecular Formula | C49H62FeN4O6 |
|---|---|
| Molecular Weight | 858.40 g/mol |
| LogP | 5.21082 |
| Topological Polar Surface Area | 174.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 20 |
| Exact Mass | 858.40186 |
| Heavy Atoms | 60 |
| Complexity | 2269.6733 |
Chemical Identifiers
| CAS Number | 18535-39-2 |
|---|---|
| SMILES | [H+].[H+].CC1=C(C2=CC3=C(/C(=C/[O-])/C(=N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C=C)C)C(CCCC(C)CCCC(C)CCCC(C)C)O)C)CCC(=O)[O-])CCC(=O)[O-].[Fe+2] |
Product Overview
血红素A (CAS 18535-39-2), with molecular formula C49H62FeN4O6 and molecular weight 858.40 g/mol. IUPAC: 3-[(17Z)-18-(2-carboxylatoethyl)-7-ethenyl-12-(1-hydroxy-5,9,13-trimethyltetradecyl)-3,8,13-trimethyl-17-(oxidomethylidene)porphyrin-21-id-2-yl]propanoate;hydron;iron(2+).
Chemical Property Profile of 血红素A
Property Insights of 血红素A
The XLogP value of 5.21082 indicates that 血红素A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 174.73 Ų indicates high polarity, suggesting 血红素A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 血红素A has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 血红素A?
The CAS number of 血红素A is 18535-39-2.
What is the molecular formula of 血红素A?
The molecular formula of 血红素A is C49H62FeN4O6.
What is the molecular weight of 血红素A?
The molecular weight of 血红素A is 858.40 g/mol.
Where can I buy 血红素A?
You can request a quote for 血红素A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 血红素A?
Yes, KEHONG BIO provides custom synthesis services for 血红素A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.