N-(1-Carboethoxy-propen-1-yl-2)-daunorubicin
TL;DR: N-(1-Carboethoxy-propen-1-yl-2)-daunorubicin (CAS 107701-62-2) is a chemical compound with molecular formula C33H37NO12 and molecular weight 639.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3-[[(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]amino]but-2-enoate
Also Known As: NCEPD, N-(1-Carboethoxy-propen-1-yl-2)-daunorubicin, 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((3-((2-carboxy-1-methylethenyl)amino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1-methoxy-6,8,11-trihydroxy-, (8S-cis)-, ethyl (E)-3-[[(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]amino]but-2-enoate, RefChem:1090784
| Molecular Formula | C33H37NO12 |
|---|---|
| Molecular Weight | 639.23 g/mol |
| LogP | 2.1267 |
| Topological Polar Surface Area | 198.15 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 639.23157 |
| Heavy Atoms | 46 |
| Complexity | 1647.5913 |
Chemical Identifiers
| CAS Number | 107701-62-2 |
|---|---|
| SMILES | CCOC(=O)/C=C(\C)/N[C@H]1C[C@@H](O[C@H]([C@H]1O)C)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O |
Product Overview
N-(1-Carboethoxy-propen-1-yl-2)-daunorubicin (CAS 107701-62-2), with molecular formula C33H37NO12 and molecular weight 639.23 g/mol. IUPAC: ethyl (E)-3-[[(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]amino]but-2-enoate.
Chemical Property Profile of N-(1-Carboethoxy-propen-1-yl-2)-daunorubicin
Property Insights of N-(1-Carboethoxy-propen-1-yl-2)-daunorubicin
The XLogP value of 2.1267 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-Carboethoxy-propen-1-yl-2)-daunorubicin. The TPSA of 198.15 Ų indicates high polarity, suggesting N-(1-Carboethoxy-propen-1-yl-2)-daunorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(1-Carboethoxy-propen-1-yl-2)-daunorubicin has 5 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 N-(1-Carboethoxy-propen-1-yl-2)-daunorubicin?
The CAS number of N-(1-Carboethoxy-propen-1-yl-2)-daunorubicin is 107701-62-2.
What is the molecular formula of N-(1-Carboethoxy-propen-1-yl-2)-daunorubicin?
The molecular formula of N-(1-Carboethoxy-propen-1-yl-2)-daunorubicin is C33H37NO12.
What is the molecular weight of N-(1-Carboethoxy-propen-1-yl-2)-daunorubicin?
The molecular weight of N-(1-Carboethoxy-propen-1-yl-2)-daunorubicin is 639.23 g/mol.
Where can I buy N-(1-Carboethoxy-propen-1-yl-2)-daunorubicin?
You can request a quote for N-(1-Carboethoxy-propen-1-yl-2)-daunorubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-Carboethoxy-propen-1-yl-2)-daunorubicin?
Yes, KEHONG BIO provides custom synthesis services for N-(1-Carboethoxy-propen-1-yl-2)-daunorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.