N,N-Dimethyladriamycin-14-valerate
TL;DR: N,N-Dimethyladriamycin-14-valerate (CAS 6296-09-9) is a chemical compound with molecular formula C34H41NO12 and molecular weight 655.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[4-[4-(dimethylamino)-6-hydroxy-5-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] pentanoate
Also Known As: NNDAV, N,N-Dimethyladriamycin-14-valerate, 2-(4-{[4-(dimethylamino)-6-hydroxy-5-methyltetrahydro-2h-pyran-2-yl]oxy}-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl)-2-oxoethyl pentanoate, [2-[4-[4-(dimethylamino)-6-hydroxy-5-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] pentanoate, 2-(4-{[4-(DIMETHYLAMINO)-6-HYDROXY-5-METHYLOXAN-2-YL]OXY}-2,5,12-TRIHYDROXY-7-METHOXY-6,11-DIOXO-1,2,3,4,6,11-HEXAHYDROTETRACEN-2-YL)-2-OXOETHYL PENTANOATE
| Molecular Formula | C34H41NO12 |
|---|---|
| Molecular Weight | 655.26 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 11 |
| Exact Mass | 655.2629 |
| Heavy Atoms | 47 |
| Complexity | 1180.0 |
Chemical Identifiers
| CAS Number | 6296-09-9 |
|---|---|
| SMILES | CCCCC(=O)OCC(=O)C1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)OC5CC(C(C(O5)O)C)N(C)C)O |
| InChIKey | TUGDDYYUXNGQOM-UHFFFAOYSA-N |
Product Overview
N,N-Dimethyladriamycin-14-valerate (CAS 6296-09-9), with molecular formula C34H41NO12 and molecular weight 655.26 g/mol. IUPAC: [2-[4-[4-(dimethylamino)-6-hydroxy-5-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] pentanoate.
Chemical Property Profile of N,N-Dimethyladriamycin-14-valerate
Property Insights of N,N-Dimethyladriamycin-14-valerate
The XLogP value of 4.1 indicates that N,N-Dimethyladriamycin-14-valerate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 189.0 Ų indicates high polarity, suggesting N,N-Dimethyladriamycin-14-valerate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N-Dimethyladriamycin-14-valerate has 4 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,N-Dimethyladriamycin-14-valerate?
The CAS number of N,N-Dimethyladriamycin-14-valerate is 6296-09-9.
What is the molecular formula of N,N-Dimethyladriamycin-14-valerate?
The molecular formula of N,N-Dimethyladriamycin-14-valerate is C34H41NO12.
What is the molecular weight of N,N-Dimethyladriamycin-14-valerate?
The molecular weight of N,N-Dimethyladriamycin-14-valerate is 655.26 g/mol.
Where can I buy N,N-Dimethyladriamycin-14-valerate?
You can request a quote for N,N-Dimethyladriamycin-14-valerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Dimethyladriamycin-14-valerate?
Yes, KEHONG BIO provides custom synthesis services for N,N-Dimethyladriamycin-14-valerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.