N-Isonicotinyl daunorubicin
TL;DR: N-Isonicotinyl daunorubicin (CAS 70609-59-5) is a chemical compound with molecular formula C33H32N2O11 and molecular weight 632.20 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]pyridine-4-carboxamide
Also Known As: N-Isonicotinyl daunorubicin, 5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-((4-pyridinylcarbonyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-, 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]pyridine-4-carboxamide
| Molecular Formula | C33H32N2O11 |
|---|---|
| Molecular Weight | 632.20 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 632.2006 |
| Heavy Atoms | 46 |
| Complexity | 1190.0 |
Chemical Identifiers
| CAS Number | 70609-59-5 |
|---|---|
| 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)C6=CC=NC=C6)O |
| InChIKey | SBAWLNDHOOGGLT-UHFFFAOYSA-N |
Product Overview
N-Isonicotinyl daunorubicin (CAS 70609-59-5), with molecular formula C33H32N2O11 and molecular weight 632.20 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]pyridine-4-carboxamide.
Chemical Property Profile of N-Isonicotinyl daunorubicin
Property Insights of N-Isonicotinyl daunorubicin
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Isonicotinyl daunorubicin. The TPSA of 202.0 Ų indicates high polarity, suggesting N-Isonicotinyl daunorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Isonicotinyl daunorubicin has 5 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-Isonicotinyl daunorubicin?
The CAS number of N-Isonicotinyl daunorubicin is 70609-59-5.
What is the molecular formula of N-Isonicotinyl daunorubicin?
The molecular formula of N-Isonicotinyl daunorubicin is C33H32N2O11.
What is the molecular weight of N-Isonicotinyl daunorubicin?
The molecular weight of N-Isonicotinyl daunorubicin is 632.20 g/mol.
Where can I buy N-Isonicotinyl daunorubicin?
You can request a quote for N-Isonicotinyl daunorubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Isonicotinyl daunorubicin?
Yes, KEHONG BIO provides custom synthesis services for N-Isonicotinyl daunorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.