N,N-Pentamethylene-13-dihydroadriamycin hydrochloride
TL;DR: N,N-Pentamethylene-13-dihydroadriamycin hydrochloride (CAS 71048-80-1) is a chemical compound with molecular formula C32H39NO11 and molecular weight 613.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(1,2-dihydroxyethyl)-6,9,11-trihydroxy-7-(5-hydroxy-6-methyl-4-piperidin-1-yloxan-2-yl)oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: N,N-Pentamethylene-13-dihydroadriamycin hydrochloride, 5,12-Naphthacenedione, 8-(1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-(1-piperidinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-, 8-(1,2-Dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-(1-piperidinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-5,12-naphthacenedione (8S-cis)-, 3-(1,2-Dihydroxyethyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(piperidin-1-yl)hexopyranoside, 3-(1,2-dihydroxyethyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-piperidin-1-ylhexopyranoside
| Molecular Formula | C32H39NO11 |
|---|---|
| Molecular Weight | 613.25 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 613.2523 |
| Heavy Atoms | 44 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 71048-80-1 |
|---|---|
| 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)N6CCCCC6)O |
| InChIKey | VDSFIQDJZXVZTH-UHFFFAOYSA-N |
Product Overview
N,N-Pentamethylene-13-dihydroadriamycin hydrochloride (CAS 71048-80-1), with molecular formula C32H39NO11 and molecular weight 613.25 g/mol. IUPAC: 9-(1,2-dihydroxyethyl)-6,9,11-trihydroxy-7-(5-hydroxy-6-methyl-4-piperidin-1-yloxan-2-yl)oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of N,N-Pentamethylene-13-dihydroadriamycin hydrochloride
Property Insights of N,N-Pentamethylene-13-dihydroadriamycin hydrochloride
The XLogP value of 3.1 indicates that N,N-Pentamethylene-13-dihydroadriamycin hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 186.0 Ų indicates high polarity, suggesting N,N-Pentamethylene-13-dihydroadriamycin hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N-Pentamethylene-13-dihydroadriamycin 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-Pentamethylene-13-dihydroadriamycin hydrochloride?
The CAS number of N,N-Pentamethylene-13-dihydroadriamycin hydrochloride is 71048-80-1.
What is the molecular formula of N,N-Pentamethylene-13-dihydroadriamycin hydrochloride?
The molecular formula of N,N-Pentamethylene-13-dihydroadriamycin hydrochloride is C32H39NO11.
What is the molecular weight of N,N-Pentamethylene-13-dihydroadriamycin hydrochloride?
The molecular weight of N,N-Pentamethylene-13-dihydroadriamycin hydrochloride is 613.25 g/mol.
Where can I buy N,N-Pentamethylene-13-dihydroadriamycin hydrochloride?
You can request a quote for N,N-Pentamethylene-13-dihydroadriamycin 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-Pentamethylene-13-dihydroadriamycin hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for N,N-Pentamethylene-13-dihydroadriamycin hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.