N-Benzyl-13-dihydroadriamycin HCl
TL;DR: N-Benzyl-13-dihydroadriamycin HCl (CAS 70844-19-8) is a chemical compound with molecular formula C34H38ClNO11 and molecular weight 671.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[4-(benzylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-9-(1,2-dihydroxyethyl)-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Also Known As: N-Benzyl-13-dihydroadriamycin HCl, N-Benzyl-13-dihydroadriamycin hydrochloride, 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-(1,2-dihydroxyethyl)-1-methoxy-10-((2,3,6-trideoxy-3-((phenylmethyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-6,8,11-trihydroxy-, hydrochloride, (8S-cis)-, 7-[4-(benzylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-9-(1,2-di, 5,12-Naphthacenedione, 8-(1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-[[2,3,6-trideoxy-3-[(phenylmethyl)amino]-.alpha.-L-lyxo-hexopyranosyl]oxy]-, hydrochloride, (8S-cis)-
| Molecular Formula | C34H38ClNO11 |
|---|---|
| Molecular Weight | 671.21 g/mol |
| LogP | 2.046 |
| Topological Polar Surface Area | 195.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 671.2133 |
| Heavy Atoms | 47 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 70844-19-8 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(CO)O)O)NCC6=CC=CC=C6)O.Cl |
| InChIKey | GWXRDVSXQHZMAN-UHFFFAOYSA-N |
Product Overview
N-Benzyl-13-dihydroadriamycin HCl (CAS 70844-19-8), with molecular formula C34H38ClNO11 and molecular weight 671.21 g/mol. IUPAC: 7-[4-(benzylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-9-(1,2-dihydroxyethyl)-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride.
Chemical Property Profile of N-Benzyl-13-dihydroadriamycin HCl
Property Insights of N-Benzyl-13-dihydroadriamycin HCl
The XLogP value of 2.046 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Benzyl-13-dihydroadriamycin HCl. The TPSA of 195.0 Ų indicates high polarity, suggesting N-Benzyl-13-dihydroadriamycin HCl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Benzyl-13-dihydroadriamycin HCl has 8 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-Benzyl-13-dihydroadriamycin HCl?
The CAS number of N-Benzyl-13-dihydroadriamycin HCl is 70844-19-8.
What is the molecular formula of N-Benzyl-13-dihydroadriamycin HCl?
The molecular formula of N-Benzyl-13-dihydroadriamycin HCl is C34H38ClNO11.
What is the molecular weight of N-Benzyl-13-dihydroadriamycin HCl?
The molecular weight of N-Benzyl-13-dihydroadriamycin HCl is 671.21 g/mol.
Where can I buy N-Benzyl-13-dihydroadriamycin HCl?
You can request a quote for N-Benzyl-13-dihydroadriamycin HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzyl-13-dihydroadriamycin HCl?
Yes, KEHONG BIO provides custom synthesis services for N-Benzyl-13-dihydroadriamycin HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.