N,N-Dibenzyl-5-iminodaunorubicin
TL;DR: N,N-Dibenzyl-5-iminodaunorubicin (CAS 82267-10-5) is a chemical compound with molecular formula C41H42N2O9 and molecular weight 706.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-acetyl-10-[4-(dibenzylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,8,11-trihydroxy-12-imino-1-methoxy-9,10-dihydro-7H-tetracen-5-one
Also Known As: N,N-Dibenzyl-5-iminodaunorubicin, 5(8H)-Naphthacenone, 8-acetyl-7,9,10,12-tetrahydro-6,8,11-trihydroxy-12-imino-1-methoxy-10-((2,3,6-trideoxy-3-(bis(phenylmethyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-, 3-acetyl-11-amino-1-[4-(dibenzylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-3,6-dihydroxy-10-methoxy-2,4-dihydro-1H-tetracene-5,12-dione, 3-Acetyl-11-amino-3,6-dihydroxy-10-methoxy-5,12-dioxo-1,2,3,4,5,12-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(dibenzylamino)hexopyranoside
| Molecular Formula | C41H42N2O9 |
|---|---|
| Molecular Weight | 706.29 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 170.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 706.289 |
| Heavy Atoms | 52 |
| Complexity | 1270.0 |
Chemical Identifiers
| CAS Number | 82267-10-5 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=N)C(=CC=C5)OC)O)(C(=O)C)O)N(CC6=CC=CC=C6)CC7=CC=CC=C7)O |
| InChIKey | WUXRUMUIXPVFQE-UHFFFAOYSA-N |
Product Overview
N,N-Dibenzyl-5-iminodaunorubicin (CAS 82267-10-5), with molecular formula C41H42N2O9 and molecular weight 706.29 g/mol. IUPAC: 8-acetyl-10-[4-(dibenzylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,8,11-trihydroxy-12-imino-1-methoxy-9,10-dihydro-7H-tetracen-5-one.
Chemical Property Profile of N,N-Dibenzyl-5-iminodaunorubicin
Property Insights of N,N-Dibenzyl-5-iminodaunorubicin
The XLogP value of 5.3 indicates that N,N-Dibenzyl-5-iminodaunorubicin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.0 Ų indicates high polarity, suggesting N,N-Dibenzyl-5-iminodaunorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N-Dibenzyl-5-iminodaunorubicin has 5 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-Dibenzyl-5-iminodaunorubicin?
The CAS number of N,N-Dibenzyl-5-iminodaunorubicin is 82267-10-5.
What is the molecular formula of N,N-Dibenzyl-5-iminodaunorubicin?
The molecular formula of N,N-Dibenzyl-5-iminodaunorubicin is C41H42N2O9.
What is the molecular weight of N,N-Dibenzyl-5-iminodaunorubicin?
The molecular weight of N,N-Dibenzyl-5-iminodaunorubicin is 706.29 g/mol.
Where can I buy N,N-Dibenzyl-5-iminodaunorubicin?
You can request a quote for N,N-Dibenzyl-5-iminodaunorubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Dibenzyl-5-iminodaunorubicin?
Yes, KEHONG BIO provides custom synthesis services for N,N-Dibenzyl-5-iminodaunorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.