Leucyl-leucyldaunorubicin HCl
TL;DR: Leucyl-leucyldaunorubicin HCl (CAS 74853-78-4) is a chemical compound with molecular formula C39H52ClN3O12 and molecular weight 789.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-amino-4-methylpentanamide;hydrochloride
Also Known As: Leucyl-leucyldaunorubicin HCl, Leucyl-leucyldaunorubicin monohydrochloride, 8-Acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-((N-L-leucyl-L-leucyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-5,12-naphthacenedione monohydrochloride, (8S-cis)-, 5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-((N-L-leucyl-L-leucyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, monohydrochloride, (8S-cis)-, 3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-({2-[(2-amino-1-hydroxy-4-methylpentylidene)amino]-1-hydroxy-4-methylpentylidene}amino)-2,3,6-trideoxyhexopyranoside--hydrogen chloride (1/1)
| Molecular Formula | C39H52ClN3O12 |
|---|---|
| Molecular Weight | 789.32 g/mol |
| LogP | 2.5125 |
| Topological Polar Surface Area | 244.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 12 |
| Exact Mass | 789.324 |
| Heavy Atoms | 55 |
| Complexity | 1410.0 |
Chemical Identifiers
| CAS Number | 74853-78-4 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)N)O.Cl |
| InChIKey | BMHPCCYZJRWRDE-UHFFFAOYSA-N |
Product Overview
Leucyl-leucyldaunorubicin HCl (CAS 74853-78-4), with molecular formula C39H52ClN3O12 and molecular weight 789.32 g/mol. IUPAC: N-[1-[[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-amino-4-methylpentanamide;hydrochloride.
Chemical Property Profile of Leucyl-leucyldaunorubicin HCl
Property Insights of Leucyl-leucyldaunorubicin HCl
The XLogP value of 2.5125 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Leucyl-leucyldaunorubicin HCl. The TPSA of 244.0 Ų indicates high polarity, suggesting Leucyl-leucyldaunorubicin HCl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Leucyl-leucyldaunorubicin HCl has 8 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Leucyl-leucyldaunorubicin HCl?
The CAS number of Leucyl-leucyldaunorubicin HCl is 74853-78-4.
What is the molecular formula of Leucyl-leucyldaunorubicin HCl?
The molecular formula of Leucyl-leucyldaunorubicin HCl is C39H52ClN3O12.
What is the molecular weight of Leucyl-leucyldaunorubicin HCl?
The molecular weight of Leucyl-leucyldaunorubicin HCl is 789.32 g/mol.
Where can I buy Leucyl-leucyldaunorubicin HCl?
You can request a quote for Leucyl-leucyldaunorubicin HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Leucyl-leucyldaunorubicin HCl?
Yes, KEHONG BIO provides custom synthesis services for Leucyl-leucyldaunorubicin HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.