N-Acetyldoxorubicn
TL;DR: N-Acetyldoxorubicn (CAS 69299-74-7) is a chemical compound with molecular formula C29H31NO12 and molecular weight 585.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]acetamide
Also Known As: N-Acetyldoxorubicn, N-Acetyladriamycin, N-[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]acetamide, (1S,3S)-3,5,12-Trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-[(1-hydroxyethylidene)amino]hexopyranoside, 3,5,12-Trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-[(1-hydroxyethylidene)amino]hexopyranoside
| Molecular Formula | C29H31NO12 |
|---|---|
| Molecular Weight | 585.18 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 209.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 585.18463 |
| Heavy Atoms | 42 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 69299-74-7 |
|---|---|
| SMILES | CC1C(C(CC(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)NC(=O)C)O |
| InChIKey | WMMDWCWHMHGCSH-JKHBLNKOSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Acetyldoxorubicn (CAS 69299-74-7), with molecular formula C29H31NO12 and molecular weight 585.18 g/mol. IUPAC: N-[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]acetamide.
Chemical Property Profile of N-Acetyldoxorubicn
Property Insights of N-Acetyldoxorubicn
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Acetyldoxorubicn. The TPSA of 209.0 Ų indicates high polarity, suggesting N-Acetyldoxorubicn may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Acetyldoxorubicn 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-Acetyldoxorubicn?
The CAS number of N-Acetyldoxorubicn is 69299-74-7.
What is the molecular formula of N-Acetyldoxorubicn?
The molecular formula of N-Acetyldoxorubicn is C29H31NO12.
What is the molecular weight of N-Acetyldoxorubicn?
The molecular weight of N-Acetyldoxorubicn is 585.18 g/mol.
Where can I buy N-Acetyldoxorubicn?
You can request a quote for N-Acetyldoxorubicn directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Acetyldoxorubicn?
Yes, KEHONG BIO provides custom synthesis services for N-Acetyldoxorubicn and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.