N-Benzyladriamycin hydrochloride
TL;DR: N-Benzyladriamycin hydrochloride (CAS 70844-18-7) is a chemical compound with molecular formula C34H36ClNO11 and molecular weight 669.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,9S)-7-[(2R,4S,5S,6S)-4-(benzylamino)-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-Benzyladriamycin HCl, N-Benzyladriamycin hydrochloride, 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-(hydroxyacetyl)-1-methoxy-10-((2,3,6-trideoxy-3-((phenylmethyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-6,8,11-trihydroxy-, hydrochloride, (8S-cis)-, (7S,9S)-7-[(2R,4S,5S,6S)-4-(benzylamino)-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, 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-10-[[2,3,6-trideoxy-3-[(phenylmethyl)amino]-.alpha.-L-lyxohexopyranosyl]oxy]-, hydrochloride, (8S-cis)-
| Molecular Formula | C34H36ClNO11 |
|---|---|
| Molecular Weight | 669.20 g/mol |
| LogP | 2.2542 |
| Topological Polar Surface Area | 192.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 669.1977 |
| Heavy Atoms | 47 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 70844-18-7 |
|---|---|
| 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)CO)O)NCC6=CC=CC=C6)O.Cl |
| InChIKey | UEXVZJBBJFUYQV-KYSSLBBXSA-N |
Product Overview
N-Benzyladriamycin hydrochloride (CAS 70844-18-7), with molecular formula C34H36ClNO11 and molecular weight 669.20 g/mol. IUPAC: (7S,9S)-7-[(2R,4S,5S,6S)-4-(benzylamino)-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-Benzyladriamycin hydrochloride
Property Insights of N-Benzyladriamycin hydrochloride
The XLogP value of 2.2542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Benzyladriamycin hydrochloride. The TPSA of 192.0 Ų indicates high polarity, suggesting N-Benzyladriamycin hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Benzyladriamycin hydrochloride has 7 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-Benzyladriamycin hydrochloride?
The CAS number of N-Benzyladriamycin hydrochloride is 70844-18-7.
What is the molecular formula of N-Benzyladriamycin hydrochloride?
The molecular formula of N-Benzyladriamycin hydrochloride is C34H36ClNO11.
What is the molecular weight of N-Benzyladriamycin hydrochloride?
The molecular weight of N-Benzyladriamycin hydrochloride is 669.20 g/mol.
Where can I buy N-Benzyladriamycin hydrochloride?
You can request a quote for N-Benzyladriamycin hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzyladriamycin hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for N-Benzyladriamycin hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.