Alanylleucyl-daunorubicin
TL;DR: Alanylleucyl-daunorubicin (CAS 74853-81-9) is a chemical compound with molecular formula C36H46ClN3O12 and molecular weight 747.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[(2S,3S,4S,6R)-6-[[(1S,3S)-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]-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanamide;hydrochloride
Also Known As: Alanylleucyl-daunorubicin, Ala-leu-daunorubicin, (2S)-N-[(2S,3S,4S,6R)-6-[[(1S,3S)-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]-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanamide;hydrochloride, 5,12-Naphthacenedione, 8-acetyl-10-((3-((N-L-alanyl-L-leucyl)amino)-2,3,6-trideoxy-alpha-L-xylo-hexopyranoxyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, monohydrochloride, (8S-cis)-, (1S,3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-[(L-alanyl-L-leucyl)amino]-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside--hydrogen chloride (1/1)
| Molecular Formula | C36H46ClN3O12 |
|---|---|
| Molecular Weight | 747.28 g/mol |
| LogP | 1.4863 |
| Topological Polar Surface Area | 244.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 747.277 |
| Heavy Atoms | 52 |
| Complexity | 1350.0 |
Chemical Identifiers
| CAS Number | 74853-81-9 |
|---|---|
| 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)C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)O.Cl |
| InChIKey | QLWFTWVXRLYFCG-DCAYDHBTSA-N |
Product Overview
Alanylleucyl-daunorubicin (CAS 74853-81-9), with molecular formula C36H46ClN3O12 and molecular weight 747.28 g/mol. IUPAC: (2S)-N-[(2S,3S,4S,6R)-6-[[(1S,3S)-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]-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanamide;hydrochloride.
Chemical Property Profile of Alanylleucyl-daunorubicin
Property Insights of Alanylleucyl-daunorubicin
The XLogP value of 1.4863 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alanylleucyl-daunorubicin. The TPSA of 244.0 Ų indicates high polarity, suggesting Alanylleucyl-daunorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Alanylleucyl-daunorubicin 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 Alanylleucyl-daunorubicin?
The CAS number of Alanylleucyl-daunorubicin is 74853-81-9.
What is the molecular formula of Alanylleucyl-daunorubicin?
The molecular formula of Alanylleucyl-daunorubicin is C36H46ClN3O12.
What is the molecular weight of Alanylleucyl-daunorubicin?
The molecular weight of Alanylleucyl-daunorubicin is 747.28 g/mol.
Where can I buy Alanylleucyl-daunorubicin?
You can request a quote for Alanylleucyl-daunorubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alanylleucyl-daunorubicin?
Yes, KEHONG BIO provides custom synthesis services for Alanylleucyl-daunorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.