N-Benzyldaunomycin HCl
TL;DR: N-Benzyldaunomycin HCl (CAS 70844-04-1) is a chemical compound with molecular formula C34H36ClNO10 and molecular weight 653.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-(benzylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Also Known As: N-Benzyldaunomycin HCl, N-Benzyldaunomycin HCl hydrate, N-Benzyldaunomycin hydrochloride, N-Benzyldaunorubicin hydrochloride, N-Benzyldaunorubicin hydrochloride hydrate
| Molecular Formula | C34H36ClNO10 |
|---|---|
| Molecular Weight | 653.20 g/mol |
| LogP | 3.2818 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 653.20276 |
| Heavy Atoms | 46 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 70844-04-1 |
|---|---|
| SMILES | C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)NCC6=CC=CC=C6)O.Cl |
| InChIKey | RKGNDSFRLOMNJV-CKQCRWPSSA-N |
Product Overview
N-Benzyldaunomycin HCl (CAS 70844-04-1), with molecular formula C34H36ClNO10 and molecular weight 653.20 g/mol. IUPAC: (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-(benzylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride.
Chemical Property Profile of N-Benzyldaunomycin HCl
Property Insights of N-Benzyldaunomycin HCl
The XLogP value of 3.2818 indicates that N-Benzyldaunomycin HCl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 172.0 Ų indicates high polarity, suggesting N-Benzyldaunomycin HCl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Benzyldaunomycin HCl has 6 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-Benzyldaunomycin HCl?
The CAS number of N-Benzyldaunomycin HCl is 70844-04-1.
What is the molecular formula of N-Benzyldaunomycin HCl?
The molecular formula of N-Benzyldaunomycin HCl is C34H36ClNO10.
What is the molecular weight of N-Benzyldaunomycin HCl?
The molecular weight of N-Benzyldaunomycin HCl is 653.20 g/mol.
Where can I buy N-Benzyldaunomycin HCl?
You can request a quote for N-Benzyldaunomycin HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzyldaunomycin HCl?
Yes, KEHONG BIO provides custom synthesis services for N-Benzyldaunomycin HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.