Nsc 246104
TL;DR: Nsc 246104 (CAS 58161-64-1) is a chemical compound with molecular formula C31H36N2O11 and molecular weight 612.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]-2-(dimethylamino)acetamide
Also Known As: Nsc 246104, 5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-[[2,3,6-trideoxy-3-[[(dimethylamino)acetyl]amino]-.alpha.-L-lyxo-hexopyranosyl]oxy]-, monohydrochloride, (8S-cis)-, 5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-3-(((dimethylamino)acetyl-alpha-L-lyxo-hexopyranosyl)oxy)-, monohydrochloride, (8S-cis)-, 8-Acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-3-(((dimethylamino)acetyl-alpha-L-lyxo-hexopyranosyl)oxy)-5,12-naphthacenedione monohydrochloride, (8S-cis)-, N-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyl-oxan-4-yl]-2-dimethylamino-acetamide
| Molecular Formula | C31H36N2O11 |
|---|---|
| Molecular Weight | 612.23 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 192.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 612.23193 |
| Heavy Atoms | 44 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 58161-64-1 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)NC(=O)CN(C)C)O |
| InChIKey | NXPNLFUCAWOADE-UHFFFAOYSA-N |
Product Overview
Nsc 246104 (CAS 58161-64-1), with molecular formula C31H36N2O11 and molecular weight 612.23 g/mol. IUPAC: N-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]-2-(dimethylamino)acetamide.
Chemical Property Profile of Nsc 246104
Property Insights of Nsc 246104
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nsc 246104. The TPSA of 192.0 Ų indicates high polarity, suggesting Nsc 246104 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nsc 246104 has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nsc 246104?
The CAS number of Nsc 246104 is 58161-64-1.
What is the molecular formula of Nsc 246104?
The molecular formula of Nsc 246104 is C31H36N2O11.
What is the molecular weight of Nsc 246104?
The molecular weight of Nsc 246104 is 612.23 g/mol.
Where can I buy Nsc 246104?
You can request a quote for Nsc 246104 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nsc 246104?
Yes, KEHONG BIO provides custom synthesis services for Nsc 246104 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.