RefChem:465252
TL;DR: RefChem:465252 (CAS 70917-34-9) is a chemical compound with molecular formula C18H16N2O4 and molecular weight 324.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 1,4-diamino-9,10-dioxoanthracene-2-carboxylate
Also Known As: 2-Anthracenecarboxylic acid, 1,4-diamino-9,10-dihydro-9,10-dioxo-, 1-methylethyl ester, 1,4-Diamino-9,10-dihydro-9,10-dioxo-2-anthracenecarboxylic acid, 1-methylethyl ester, isopropyl 1,4-diamino-9,10-dioxo-9,10-dihydroanthracene-2-carboxylate, 1-Methylethyl 1,4-diamino-9,10-dihydro-9,10-dioxoanthracene-2-carboxylate, propan-2-yl 1,4-diamino-9,10-dioxoanthracene-2-carboxylate
| Molecular Formula | C18H16N2O4 |
|---|---|
| Molecular Weight | 324.11 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.111 |
| Heavy Atoms | 24 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 70917-34-9 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC(=C2C(=C1N)C(=O)C3=CC=CC=C3C2=O)N |
| InChIKey | KQBPPKIWYDVYHG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:465252 (CAS 70917-34-9), with molecular formula C18H16N2O4 and molecular weight 324.11 g/mol. IUPAC: propan-2-yl 1,4-diamino-9,10-dioxoanthracene-2-carboxylate.
Chemical Property Profile of RefChem:465252
Property Insights of RefChem:465252
The XLogP value of 3.3 indicates that RefChem:465252 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:465252. Following Lipinski's Rule of Five, RefChem:465252 has 2 hydrogen bond donor(s) and 6 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:465252?
The CAS number of RefChem:465252 is 70917-34-9.
What is the molecular formula of RefChem:465252?
The molecular formula of RefChem:465252 is C18H16N2O4.
What is the molecular weight of RefChem:465252?
The molecular weight of RefChem:465252 is 324.11 g/mol.
Where can I buy RefChem:465252?
You can request a quote for RefChem:465252 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:465252?
Yes, KEHONG BIO provides custom synthesis services for RefChem:465252 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.