N-Acetyldaunomycin, compound with isopropyl alcohol
TL;DR: N-Acetyldaunomycin, compound with isopropyl alcohol (CAS 56816-39-8) is a chemical compound with molecular formula C32H39NO12 and molecular weight 629.25 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]acetamide;propan-2-ol
Also Known As: N-Acetyldaunomycin, compound with isopropyl alcohol, N-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-di, 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]acetamide; propan-2-ol
| Molecular Formula | C32H39NO12 |
|---|---|
| Molecular Weight | 629.25 g/mol |
| LogP | 1.5934 |
| Topological Polar Surface Area | 209.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 629.24725 |
| Heavy Atoms | 45 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 56816-39-8 |
|---|---|
| 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)C)O.CC(C)O |
| InChIKey | ZERGKINZSGDLQI-UHFFFAOYSA-N |
Product Overview
N-Acetyldaunomycin, compound with isopropyl alcohol (CAS 56816-39-8), with molecular formula C32H39NO12 and molecular weight 629.25 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]acetamide;propan-2-ol.
Chemical Property Profile of N-Acetyldaunomycin, compound with isopropyl alcohol
Property Insights of N-Acetyldaunomycin, compound with isopropyl alcohol
The XLogP value of 1.5934 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Acetyldaunomycin, compound with isopropyl alcohol. The TPSA of 209.0 Ų indicates high polarity, suggesting N-Acetyldaunomycin, compound with isopropyl alcohol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Acetyldaunomycin, compound with isopropyl alcohol has 6 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 N-Acetyldaunomycin, compound with isopropyl alcohol?
The CAS number of N-Acetyldaunomycin, compound with isopropyl alcohol is 56816-39-8.
What is the molecular formula of N-Acetyldaunomycin, compound with isopropyl alcohol?
The molecular formula of N-Acetyldaunomycin, compound with isopropyl alcohol is C32H39NO12.
What is the molecular weight of N-Acetyldaunomycin, compound with isopropyl alcohol?
The molecular weight of N-Acetyldaunomycin, compound with isopropyl alcohol is 629.25 g/mol.
Where can I buy N-Acetyldaunomycin, compound with isopropyl alcohol?
You can request a quote for N-Acetyldaunomycin, compound with isopropyl alcohol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Acetyldaunomycin, compound with isopropyl alcohol?
Yes, KEHONG BIO provides custom synthesis services for N-Acetyldaunomycin, compound with isopropyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.