RefChem:1072094
TL;DR: RefChem:1072094 (CAS 128948-03-8) is a chemical compound with molecular formula C34H44ClN3O9 and molecular weight 673.2766 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9-[(E)-N-[(E)-heptan-3-ylideneamino]-C-methylcarbonimidoyl]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Also Known As: Rubomycin 13-(heptylidene-3'')hydrazone hydrochloride, 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-(1-((1-ethylpentylidene)hydrazono)ethyl)-1-methoxy-6,8,11-trihydroxy-, monohydrochloride (8S-cis)-
Technical Specifications
| Molecular Formula | C34H44ClN3O9 |
| Molecular Weight | 673.2766 g/mol |
| XLogP | 4.2788 |
| Topological Polar Surface Area (TPSA) | 193.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 673.2766 Da |
| Heavy Atoms | 47 |
| Complexity | 1180.0 |
| SMILES | CCCC/C(=N/N=C(\C)/C1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)OC5CC(C(C(O5)C)O)N)O)/CC.Cl |
| InChIKey | AJXLOFGPKMDGFD-PYDPOYFBSA-N |
Chemical Property Profile of RefChem:1072094
Property Insights of RefChem:1072094
The XLogP value of 4.2788 indicates that RefChem:1072094 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 193.0 Ų indicates high polarity, suggesting RefChem:1072094 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1072094 has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1072094?
The CAS number of RefChem:1072094 is 128948-03-8.
What is the molecular formula of RefChem:1072094?
The molecular formula of RefChem:1072094 is C34H44ClN3O9.
What is the molecular weight of RefChem:1072094?
The molecular weight of RefChem:1072094 is 673.2766 g/mol.
Where can I buy RefChem:1072094?
You can request a quote for RefChem:1072094 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1072094?
Yes, CoreyChem provides custom synthesis services for RefChem:1072094 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.