Rubampicin
TL;DR: Rubampicin (CAS 84890-27-7) is a chemical compound with molecular formula C32H40N4O9 and molecular weight 624.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-9-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Rubampicin, 5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-8-(1-((4-methyl-1-piperazinyl)imino)ethyl)-, (8S-cis)-, Urea, N-(4-fluoro-3-((trifluoromethyl)thio)phenyl)-N'-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)-
| Molecular Formula | C32H40N4O9 |
|---|---|
| Molecular Weight | 624.28 g/mol |
| LogP | 1.0632 |
| Topological Polar Surface Area | 187.61 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 5 |
| Exact Mass | 624.27954 |
| Heavy Atoms | 45 |
| Complexity | 1558.3438 |
Chemical Identifiers
| CAS Number | 84890-27-7 |
|---|---|
| SMILES | C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(/C(=N/N6CCN(CC6)C)/C)O)N)O |
Product Overview
Rubampicin (CAS 84890-27-7), with molecular formula C32H40N4O9 and molecular weight 624.28 g/mol. IUPAC: (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-9-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of Rubampicin
Property Insights of Rubampicin
The XLogP value of 1.0632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Rubampicin. The TPSA of 187.61 Ų indicates high polarity, suggesting Rubampicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Rubampicin has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Rubampicin?
The CAS number of Rubampicin is 84890-27-7.
What is the molecular formula of Rubampicin?
The molecular formula of Rubampicin is C32H40N4O9.
What is the molecular weight of Rubampicin?
The molecular weight of Rubampicin is 624.28 g/mol.
Where can I buy Rubampicin?
You can request a quote for Rubampicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rubampicin?
Yes, KEHONG BIO provides custom synthesis services for Rubampicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.