Nemorubicin
TL;DR: Nemorubicin (CAS 108852-90-0) is a chemical compound with molecular formula C32H37NO13 and molecular weight 643.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,9S)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[(2R,4S,5S,6S)-5-hydroxy-4-[(2S)-2-methoxymorpholin-4-yl]-6-methyloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Nemorubicin, nemorubicina, nemorubicine, nemorubicinum, Nemorubicinol
| Molecular Formula | C32H37NO13 |
|---|---|
| Molecular Weight | 643.23 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 643.2265 |
| Heavy Atoms | 46 |
| Complexity | 1160.0 |
Chemical Identifiers
| CAS Number | 108852-90-0 |
|---|---|
| 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(=O)CO)O)N6CCO[C@@H](C6)OC)O |
| InChIKey | CTMCWCONSULRHO-UHQPFXKFSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nemorubicin (CAS 108852-90-0), with molecular formula C32H37NO13 and molecular weight 643.23 g/mol. IUPAC: (7S,9S)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[(2R,4S,5S,6S)-5-hydroxy-4-[(2S)-2-methoxymorpholin-4-yl]-6-methyloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of Nemorubicin
Property Insights of Nemorubicin
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nemorubicin. The TPSA of 202.0 Ų indicates high polarity, suggesting Nemorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nemorubicin has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nemorubicin?
The CAS number of Nemorubicin is 108852-90-0.
What is the molecular formula of Nemorubicin?
The molecular formula of Nemorubicin is C32H37NO13.
What is the molecular weight of Nemorubicin?
The molecular weight of Nemorubicin is 643.23 g/mol.
Where can I buy Nemorubicin?
You can request a quote for Nemorubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nemorubicin?
Yes, KEHONG BIO provides custom synthesis services for Nemorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.