RefChem:513510
TL;DR: RefChem:513510 (CAS 16618-09-0) is a chemical compound with molecular formula C23H18N2O7 and molecular weight 434.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
RefChem:513510
[4-(4,8-diamino-1,5-dihydroxy-9,10-dioxoanthracen-2-yl)phenyl] ethyl carbonate
Also Known As: 4-(4,8-Diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-2-anthryl)phenyl ethyl carbonate, [4-(4,8-diamino-1,5-dihydroxy-9,10-dioxoanthracen-2-yl)phenyl] ethyl carbonate, 4-(4,8-diamino-1,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)phenyl ethyl carbonate, Carbonic acid, 4-(4,8-diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-2-anthracenyl)phenyl ethyl ester, 240-666-1
| Molecular Formula | C23H18N2O7 |
|---|---|
| Molecular Weight | 434.11 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.1114 |
| Heavy Atoms | 32 |
| Complexity | 738.0 |
Chemical Identifiers
| CAS Number | 16618-09-0 |
|---|---|
| SMILES | CCOC(=O)OC1=CC=C(C=C1)C2=CC(=C3C(=C2O)C(=O)C4=C(C=CC(=C4C3=O)O)N)N |
| InChIKey | YVTLJQCBKZMKOJ-UHFFFAOYSA-N |
Product Overview
RefChem:513510 (CAS 16618-09-0), with molecular formula C23H18N2O7 and molecular weight 434.11 g/mol. IUPAC: [4-(4,8-diamino-1,5-dihydroxy-9,10-dioxoanthracen-2-yl)phenyl] ethyl carbonate.
Chemical Property Profile of RefChem:513510
Property Insights of RefChem:513510
The XLogP value of 4.0 indicates that RefChem:513510 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 162.0 Ų indicates high polarity, suggesting RefChem:513510 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:513510 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:513510?
The CAS number of RefChem:513510 is 16618-09-0.
What is the molecular formula of RefChem:513510?
The molecular formula of RefChem:513510 is C23H18N2O7.
What is the molecular weight of RefChem:513510?
The molecular weight of RefChem:513510 is 434.11 g/mol.
Where can I buy RefChem:513510?
You can request a quote for RefChem:513510 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:513510?
Yes, KEHONG BIO provides custom synthesis services for RefChem:513510 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.