RefChem:552036
TL;DR: RefChem:552036 (CAS 63216-87-5) is a chemical compound with molecular formula C18H10N2O8 and molecular weight 382.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[8-(oxaloamino)-9,10-dioxoanthracen-1-yl]amino]-2-oxoacetic acid
Also Known As: 1,8-Bis(oxaloamino)anthraquinone, Acetic acid, 2,2'-[(9,10-dihydro-9,10-dioxo-1,8-anthracenediyl)diimino]bis[2-oxo-, 2,2'-[(9,10-dioxo-9,10-dihydroanthracene-1,8-diyl)diimino]bis(oxoacetic acid), Acetic acid, 2,2'-((9,10-dihydro-9,10-dioxo-1,8-anthracenediyl)diimino)bis(2-oxo-, 2,2'-((9,10-Dihydro-9,10-dioxo-1,8-anthracenediyl)diimino)bis(2-oxoacetic) acid
| Molecular Formula | C18H10N2O8 |
|---|---|
| Molecular Weight | 382.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.0437 |
| Heavy Atoms | 28 |
| Complexity | 690.0 |
Chemical Identifiers
| CAS Number | 63216-87-5 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)NC(=O)C(=O)O)C(=O)C3=C(C2=O)C=CC=C3NC(=O)C(=O)O |
| InChIKey | XJRBIGZLFUAVPW-UHFFFAOYSA-N |
Product Overview
RefChem:552036 (CAS 63216-87-5), with molecular formula C18H10N2O8 and molecular weight 382.04 g/mol. IUPAC: 2-[[8-(oxaloamino)-9,10-dioxoanthracen-1-yl]amino]-2-oxoacetic acid.
Chemical Property Profile of RefChem:552036
Property Insights of RefChem:552036
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:552036. The TPSA of 167.0 Ų indicates high polarity, suggesting RefChem:552036 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:552036 has 4 hydrogen bond donor(s) and 8 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:552036?
The CAS number of RefChem:552036 is 63216-87-5.
What is the molecular formula of RefChem:552036?
The molecular formula of RefChem:552036 is C18H10N2O8.
What is the molecular weight of RefChem:552036?
The molecular weight of RefChem:552036 is 382.04 g/mol.
Where can I buy RefChem:552036?
You can request a quote for RefChem:552036 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:552036?
Yes, KEHONG BIO provides custom synthesis services for RefChem:552036 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.