N,N-Dibenzyladriamycin hydrochloride
TL;DR: N,N-Dibenzyladriamycin hydrochloride (CAS 70844-20-1) is a chemical compound with molecular formula C41H42ClNO11 and molecular weight 759.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[4-(dibenzylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Also Known As: N,N-Dibenzyladriamycin hydrochloride, Dibenzyladriamycin hydrochloride, 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-10-((3-(bis(phenylmethyl)amino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-(hydroxyacetyl)-1-methoxy-6,8,11-trihydroxy-, hydrochloride, (8S-cis)-, 7-[4-(dibenzylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-, 3,5,12-Trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(dibenzylamino)hexopyranoside--hydrogen chloride (1/1)
| Molecular Formula | C41H42ClNO11 |
|---|---|
| Molecular Weight | 759.24 g/mol |
| LogP | 4.1668 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 759.2446 |
| Heavy Atoms | 54 |
| Complexity | 1280.0 |
Chemical Identifiers
| CAS Number | 70844-20-1 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N(CC6=CC=CC=C6)CC7=CC=CC=C7)O.Cl |
| InChIKey | OHQWGMXRDLUYAP-UHFFFAOYSA-N |
Product Overview
N,N-Dibenzyladriamycin hydrochloride (CAS 70844-20-1), with molecular formula C41H42ClNO11 and molecular weight 759.24 g/mol. IUPAC: 7-[4-(dibenzylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride.
Chemical Property Profile of N,N-Dibenzyladriamycin hydrochloride
Property Insights of N,N-Dibenzyladriamycin hydrochloride
The XLogP value of 4.1668 indicates that N,N-Dibenzyladriamycin hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 183.0 Ų indicates high polarity, suggesting N,N-Dibenzyladriamycin hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N-Dibenzyladriamycin hydrochloride has 6 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,N-Dibenzyladriamycin hydrochloride?
The CAS number of N,N-Dibenzyladriamycin hydrochloride is 70844-20-1.
What is the molecular formula of N,N-Dibenzyladriamycin hydrochloride?
The molecular formula of N,N-Dibenzyladriamycin hydrochloride is C41H42ClNO11.
What is the molecular weight of N,N-Dibenzyladriamycin hydrochloride?
The molecular weight of N,N-Dibenzyladriamycin hydrochloride is 759.24 g/mol.
Where can I buy N,N-Dibenzyladriamycin hydrochloride?
You can request a quote for N,N-Dibenzyladriamycin hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Dibenzyladriamycin hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for N,N-Dibenzyladriamycin hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.