doxorubicin-N-4-hydroxyphenoxyacetamide
TL;DR: doxorubicin-N-4-hydroxyphenoxyacetamide (CAS 131089-08-2) is a chemical compound with molecular formula C35H35NO14 and molecular weight 693.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2S,3S,4S,6R)-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]-2-(4-hydroxyphenoxy)acetamide
Also Known As: p-DPO, Doxorubicin-N-4-hydroxyphenoxyacetamide, N-[(2S,3S,4S,6R)-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]-2-(4-hydroxyphenoxy)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-[2-(4-hydroxyphenoxy)acetamido]-alpha-L-lyxo-hexopyranoside, 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-10-((2,3,6-trideoxy-3-(((4-hydroxyphenoxy)acetyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-
| Molecular Formula | C35H35NO14 |
|---|---|
| Molecular Weight | 693.21 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 239.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 9 |
| Exact Mass | 693.20575 |
| Heavy Atoms | 50 |
| Complexity | 1270.0 |
Chemical Identifiers
| CAS Number | 131089-08-2 |
|---|---|
| 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)CO)O)NC(=O)COC6=CC=C(C=C6)O)O |
| InChIKey | GNIACNJUQXXBPR-BPESXHNNSA-N |
Product Overview
doxorubicin-N-4-hydroxyphenoxyacetamide (CAS 131089-08-2), with molecular formula C35H35NO14 and molecular weight 693.21 g/mol. IUPAC: N-[(2S,3S,4S,6R)-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]-2-(4-hydroxyphenoxy)acetamide.
Chemical Property Profile of doxorubicin-N-4-hydroxyphenoxyacetamide
Property Insights of doxorubicin-N-4-hydroxyphenoxyacetamide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for doxorubicin-N-4-hydroxyphenoxyacetamide. The TPSA of 239.0 Ų indicates high polarity, suggesting doxorubicin-N-4-hydroxyphenoxyacetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, doxorubicin-N-4-hydroxyphenoxyacetamide has 7 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 doxorubicin-N-4-hydroxyphenoxyacetamide?
The CAS number of doxorubicin-N-4-hydroxyphenoxyacetamide is 131089-08-2.
What is the molecular formula of doxorubicin-N-4-hydroxyphenoxyacetamide?
The molecular formula of doxorubicin-N-4-hydroxyphenoxyacetamide is C35H35NO14.
What is the molecular weight of doxorubicin-N-4-hydroxyphenoxyacetamide?
The molecular weight of doxorubicin-N-4-hydroxyphenoxyacetamide is 693.21 g/mol.
Where can I buy doxorubicin-N-4-hydroxyphenoxyacetamide?
You can request a quote for doxorubicin-N-4-hydroxyphenoxyacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for doxorubicin-N-4-hydroxyphenoxyacetamide?
Yes, KEHONG BIO provides custom synthesis services for doxorubicin-N-4-hydroxyphenoxyacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.