N,N-Dibenzyldaunorubicin
TL;DR: N,N-Dibenzyldaunorubicin (CAS 69230-47-3) is a chemical compound with molecular formula C41H41NO10 and molecular weight 707.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-acetyl-7-[4-(dibenzylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: N,N-Dibenzyldaunorubicin, 9-acetyl-7-[4-(dibenzylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione, 3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-naphthacenyl 2,3,6-trideoxy-3-(dibenzylamino)hexopyranoside #, 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((3-(bis(phenylmethyl)amino)-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy)-1-methoxy-6,8,11-trihydroxy-, hydrochloride,(8S-cis)-, 5,12-Naphthacenedione, 8-acetyl-10-((3-(bis(phenylmethyl)amino)-2,3,6-trideoxy-.alpha. -L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-,hydrochloride, (8S-cis)-
| Molecular Formula | C41H41NO10 |
|---|---|
| Molecular Weight | 707.27 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 707.2731 |
| Heavy Atoms | 52 |
| Complexity | 1260.0 |
Chemical Identifiers
| CAS Number | 69230-47-3 |
|---|---|
| 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)N(CC6=CC=CC=C6)CC7=CC=CC=C7)O |
| InChIKey | VUEZAPSQNPGLMR-UHFFFAOYSA-N |
Product Overview
N,N-Dibenzyldaunorubicin (CAS 69230-47-3), with molecular formula C41H41NO10 and molecular weight 707.27 g/mol. IUPAC: 9-acetyl-7-[4-(dibenzylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of N,N-Dibenzyldaunorubicin
Property Insights of N,N-Dibenzyldaunorubicin
The XLogP value of 5.8 indicates that N,N-Dibenzyldaunorubicin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 163.0 Ų indicates high polarity, suggesting N,N-Dibenzyldaunorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N-Dibenzyldaunorubicin has 4 hydrogen bond donor(s) and 11 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-Dibenzyldaunorubicin?
The CAS number of N,N-Dibenzyldaunorubicin is 69230-47-3.
What is the molecular formula of N,N-Dibenzyldaunorubicin?
The molecular formula of N,N-Dibenzyldaunorubicin is C41H41NO10.
What is the molecular weight of N,N-Dibenzyldaunorubicin?
The molecular weight of N,N-Dibenzyldaunorubicin is 707.27 g/mol.
Where can I buy N,N-Dibenzyldaunorubicin?
You can request a quote for N,N-Dibenzyldaunorubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Dibenzyldaunorubicin?
Yes, KEHONG BIO provides custom synthesis services for N,N-Dibenzyldaunorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.