benzoporphyrin derivative Ring A-1
TL;DR: benzoporphyrin derivative Ring A-1 (CAS 94238-24-1) is a chemical compound with molecular formula C42H44N4O8 and molecular weight 732.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-ethenyl-10,14-bis(3-methoxy-3-oxopropyl)-4,9,15,19-tetramethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,20,23-dodecaene-20,21-dicarboxylate
Also Known As: benzoporphyrin derivative Ring A-1, dimethyl 5-ethenyl-10,14-bis(3-methoxy-3-oxopropyl)-4,9,15,19-tetramethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1,3,5,7,9,11,13(26),14,16,18(25),20,23-dodecaene-20,21-dicarboxylate
| Molecular Formula | C42H44N4O8 |
|---|---|
| Molecular Weight | 732.32 g/mol |
| LogP | 6.95174 |
| Topological Polar Surface Area | 162.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 732.3159 |
| Heavy Atoms | 54 |
| Complexity | 2406.7874 |
Chemical Identifiers
| CAS Number | 94238-24-1 |
|---|---|
| SMILES | CC1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5C6(C(=CCC(=C6C(=O)OC)C(=O)OC)C(=N5)C=C1N2)C)C)CCC(=O)OC)C(=C3C)CCC(=O)OC)C=C |
Product Overview
benzoporphyrin derivative Ring A-1 (CAS 94238-24-1), with molecular formula C42H44N4O8 and molecular weight 732.32 g/mol. IUPAC: dimethyl 5-ethenyl-10,14-bis(3-methoxy-3-oxopropyl)-4,9,15,19-tetramethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,20,23-dodecaene-20,21-dicarboxylate.
Chemical Property Profile of benzoporphyrin derivative Ring A-1
Property Insights of benzoporphyrin derivative Ring A-1
The XLogP value of 6.95174 indicates that benzoporphyrin derivative Ring A-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 162.56 Ų indicates high polarity, suggesting benzoporphyrin derivative Ring A-1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, benzoporphyrin derivative Ring A-1 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of benzoporphyrin derivative Ring A-1?
The CAS number of benzoporphyrin derivative Ring A-1 is 94238-24-1.
What is the molecular formula of benzoporphyrin derivative Ring A-1?
The molecular formula of benzoporphyrin derivative Ring A-1 is C42H44N4O8.
What is the molecular weight of benzoporphyrin derivative Ring A-1?
The molecular weight of benzoporphyrin derivative Ring A-1 is 732.32 g/mol.
Where can I buy benzoporphyrin derivative Ring A-1?
You can request a quote for benzoporphyrin derivative Ring A-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzoporphyrin derivative Ring A-1?
Yes, KEHONG BIO provides custom synthesis services for benzoporphyrin derivative Ring A-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.