Nsc 246132
TL;DR: Nsc 246132 (CAS 58161-65-2) is a chemical compound with molecular formula C33H40ClN3O12 and molecular weight 705.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2S,3S,4S,6R)-6-[[(1S,3S)-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-[[2-(dimethylamino)acetyl]amino]acetamide;hydrochloride
Also Known As: Nsc 246132, 5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-((N-(N,N-dimethylglycyl)glycyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, monohydrochloride, (8S-cis)-, 8-Acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-((N-(N,N-dimethylglycyl)glycyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-5,12-naphthacenedione monohydrochloride, (8S-cis)-, 5,12-NAPHTHACENEDIONE, 8-ACETYL-7,8,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-1-METHOXY-10-((2,3,6-TRIDEOXY-3-((N-(N,N-DIMETHYLGLYCYL)GLYCYL)AMINO)-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-, MONOHYDROCHLORIDE, (8S-CIS)-, 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]acetyl]amino]-.alpha.-L-lyxo-hexopyranosyl]oxy]-, monohydrochloride, (8S-cis)-
| Molecular Formula | C33H40ClN3O12 |
|---|---|
| Molecular Weight | 705.23 g/mol |
| LogP | 0.286 |
| Topological Polar Surface Area | 221.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 705.23004 |
| Heavy Atoms | 49 |
| Complexity | 1260.0 |
Chemical Identifiers
| CAS Number | 58161-65-2 |
|---|---|
| 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)C)O)NC(=O)CNC(=O)CN(C)C)O.Cl |
| InChIKey | ZVPGKONLVQAMJZ-SGLHZKEVSA-N |
Product Overview
Nsc 246132 (CAS 58161-65-2), with molecular formula C33H40ClN3O12 and molecular weight 705.23 g/mol. IUPAC: N-[(2S,3S,4S,6R)-6-[[(1S,3S)-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-[[2-(dimethylamino)acetyl]amino]acetamide;hydrochloride.
Chemical Property Profile of Nsc 246132
Property Insights of Nsc 246132
The XLogP value of 0.286 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nsc 246132. The TPSA of 221.0 Ų indicates high polarity, suggesting Nsc 246132 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nsc 246132 has 7 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 Nsc 246132?
The CAS number of Nsc 246132 is 58161-65-2.
What is the molecular formula of Nsc 246132?
The molecular formula of Nsc 246132 is C33H40ClN3O12.
What is the molecular weight of Nsc 246132?
The molecular weight of Nsc 246132 is 705.23 g/mol.
Where can I buy Nsc 246132?
You can request a quote for Nsc 246132 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nsc 246132?
Yes, KEHONG BIO provides custom synthesis services for Nsc 246132 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.