N-Butyryldaunorubicin
TL;DR: N-Butyryldaunorubicin (CAS 38942-41-5) is a chemical compound with molecular formula C31H35NO11 and molecular weight 597.22 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]butanamide
Also Known As: N-Butyryldaunorubicin, 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]butanamide, 3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-[(1-hydroxybutylidene)amino]hexopyranoside
| Molecular Formula | C31H35NO11 |
|---|---|
| Molecular Weight | 597.22 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 597.221 |
| Heavy Atoms | 43 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 38942-41-5 |
|---|---|
| SMILES | CCCC(=O)NC1CC(OC(C1O)C)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O |
| InChIKey | CBBJXBKRCWMSIQ-UHFFFAOYSA-N |
Product Overview
N-Butyryldaunorubicin (CAS 38942-41-5), with molecular formula C31H35NO11 and molecular weight 597.22 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]butanamide.
Chemical Property Profile of N-Butyryldaunorubicin
Property Insights of N-Butyryldaunorubicin
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Butyryldaunorubicin. The TPSA of 189.0 Ų indicates high polarity, suggesting N-Butyryldaunorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Butyryldaunorubicin has 5 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-Butyryldaunorubicin?
The CAS number of N-Butyryldaunorubicin is 38942-41-5.
What is the molecular formula of N-Butyryldaunorubicin?
The molecular formula of N-Butyryldaunorubicin is C31H35NO11.
What is the molecular weight of N-Butyryldaunorubicin?
The molecular weight of N-Butyryldaunorubicin is 597.22 g/mol.
Where can I buy N-Butyryldaunorubicin?
You can request a quote for N-Butyryldaunorubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Butyryldaunorubicin?
Yes, KEHONG BIO provides custom synthesis services for N-Butyryldaunorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.