N-Benzyldaunomycin
TL;DR: N-Benzyldaunomycin (CAS 70878-49-8) is a chemical compound with molecular formula C34H35NO10 and molecular weight 617.23 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
Also Known As: N-Benzyldaunomycin, N-Benzyldaunorubicin, N-Benzyldaunomycin hydrochloride hydrate, 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-1-methoxy-10-((2,3,6-trideoxy-3-((phenylmethyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-6,8,11-trihydroxy-, (8S-cis)-, (1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-(benzylamino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside
| Molecular Formula | C34H35NO10 |
|---|---|
| Molecular Weight | 617.23 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 617.2261 |
| Heavy Atoms | 45 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 70878-49-8 |
|---|---|
| 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 |
| InChIKey | XINGEBYLVICECA-WJIQDEJTSA-N |
Product Overview
N-Benzyldaunomycin (CAS 70878-49-8), with molecular formula C34H35NO10 and molecular weight 617.23 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.
Chemical Property Profile of N-Benzyldaunomycin
Property Insights of N-Benzyldaunomycin
The XLogP value of 3.8 indicates that N-Benzyldaunomycin 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 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Benzyldaunomycin 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-Benzyldaunomycin?
The CAS number of N-Benzyldaunomycin is 70878-49-8.
What is the molecular formula of N-Benzyldaunomycin?
The molecular formula of N-Benzyldaunomycin is C34H35NO10.
What is the molecular weight of N-Benzyldaunomycin?
The molecular weight of N-Benzyldaunomycin is 617.23 g/mol.
Where can I buy N-Benzyldaunomycin?
You can request a quote for N-Benzyldaunomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzyldaunomycin?
Yes, KEHONG BIO provides custom synthesis services for N-Benzyldaunomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.