N-Decyldaunorubicin HCl
TL;DR: N-Decyldaunorubicin HCl (CAS 70844-12-1) is a chemical compound with molecular formula C37H50ClNO10 and molecular weight 703.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-acetyl-7-[4-(decylamino)-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-Decyldaunorubicin HCl, N-Decyldaunorubicin hydrochloride, 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((3-(decylamino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1-methoxy-6,8,11-trihydroxy-, hydrochloride, (8S-cis)-, 9-acetyl-7-[4-(decylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6, 3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-(decylamino)-2,3,6-trideoxyhexopyranoside--hydrogen chloride (1/1)
| Molecular Formula | C37H50ClNO10 |
|---|---|
| Molecular Weight | 703.31 g/mol |
| LogP | 5.2223 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 14 |
| Exact Mass | 703.3123 |
| Heavy Atoms | 49 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 70844-12-1 |
|---|---|
| SMILES | CCCCCCCCCCNC1CC(OC(C1O)C)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O.Cl |
| InChIKey | JTNVGIHETRSWJI-UHFFFAOYSA-N |
Product Overview
N-Decyldaunorubicin HCl (CAS 70844-12-1), with molecular formula C37H50ClNO10 and molecular weight 703.31 g/mol. IUPAC: 9-acetyl-7-[4-(decylamino)-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-Decyldaunorubicin HCl
Property Insights of N-Decyldaunorubicin HCl
The XLogP value of 5.2223 indicates that N-Decyldaunorubicin 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-Decyldaunorubicin HCl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Decyldaunorubicin 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-Decyldaunorubicin HCl?
The CAS number of N-Decyldaunorubicin HCl is 70844-12-1.
What is the molecular formula of N-Decyldaunorubicin HCl?
The molecular formula of N-Decyldaunorubicin HCl is C37H50ClNO10.
What is the molecular weight of N-Decyldaunorubicin HCl?
The molecular weight of N-Decyldaunorubicin HCl is 703.31 g/mol.
Where can I buy N-Decyldaunorubicin HCl?
You can request a quote for N-Decyldaunorubicin HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Decyldaunorubicin HCl?
Yes, KEHONG BIO provides custom synthesis services for N-Decyldaunorubicin HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.