L-Valyldaunorubicin HCl
TL;DR: L-Valyldaunorubicin HCl (CAS 74853-76-2) is a chemical compound with molecular formula C32H39ClN2O11 and molecular weight 662.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[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]-2-amino-3-methylbutanamide;hydrochloride
Also Known As: L-Valyldaunorubicin HCl, L-Valyldaunorubicin monohydrochloride, 5,12-Naphthacenedione, 8-acetyl-10-((3-((2-amino-3-methyl-1-oxobutyl)amino)-2,3,6-trideoxy-alpha-L-xylo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, monohydrochloride, (8S-(8alpha,10alpha(R*)))-, 8-Acetyl-10-((3-((2-amino-3-methyl-1-oxobutyl)amino)-2,3,6-trideoxy-alpha-L-xylo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione monohydrochloride, (8S-(8alpha,10alpha(R*)))-, 3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-[(2-amino-1-hydroxy-3-methylbutylidene)amino]-2,3,6-trideoxyhexopyranoside--hydrogen chloride (1/1)
| Molecular Formula | C32H39ClN2O11 |
|---|---|
| Molecular Weight | 662.22 g/mol |
| LogP | 1.5915 |
| Topological Polar Surface Area | 215.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 662.22424 |
| Heavy Atoms | 46 |
| Complexity | 1170.0 |
Chemical Identifiers
| CAS Number | 74853-76-2 |
|---|---|
| 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(C(C)C)N)O.Cl |
| InChIKey | JWOWQAJGOKWSKJ-UHFFFAOYSA-N |
Product Overview
L-Valyldaunorubicin HCl (CAS 74853-76-2), with molecular formula C32H39ClN2O11 and molecular weight 662.22 g/mol. IUPAC: N-[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]-2-amino-3-methylbutanamide;hydrochloride.
Chemical Property Profile of L-Valyldaunorubicin HCl
Property Insights of L-Valyldaunorubicin HCl
The XLogP value of 1.5915 suggests moderate lipophilicity, balancing water solubility and membrane permeability for L-Valyldaunorubicin HCl. The TPSA of 215.0 Ų indicates high polarity, suggesting L-Valyldaunorubicin HCl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, L-Valyldaunorubicin HCl has 7 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 L-Valyldaunorubicin HCl?
The CAS number of L-Valyldaunorubicin HCl is 74853-76-2.
What is the molecular formula of L-Valyldaunorubicin HCl?
The molecular formula of L-Valyldaunorubicin HCl is C32H39ClN2O11.
What is the molecular weight of L-Valyldaunorubicin HCl?
The molecular weight of L-Valyldaunorubicin HCl is 662.22 g/mol.
Where can I buy L-Valyldaunorubicin HCl?
You can request a quote for L-Valyldaunorubicin HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-Valyldaunorubicin HCl?
Yes, KEHONG BIO provides custom synthesis services for L-Valyldaunorubicin HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.