4'-Deoxydaunomycin
TL;DR: 4'-Deoxydaunomycin (CAS 63568-77-4) is a chemical compound with molecular formula C27H30ClNO9 and molecular weight 547.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,9S)-9-acetyl-7-[(2R,4S,6R)-4-amino-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Also Known As: 4'-Deoxydaunomycin, 4'-deoxy-daunomycin, 4'-Deoxydaunorubicin, 4'-Deoxydaunorubicin hydrochloride, (7S,9S)-9-acetyl-7-[(2R,4S,6R)-4-amino-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
| Molecular Formula | C27H30ClNO9 |
|---|---|
| Molecular Weight | 547.16 g/mol |
| LogP | 2.4799 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 547.1609 |
| Heavy Atoms | 38 |
| Complexity | 928.0 |
Chemical Identifiers
| CAS Number | 63568-77-4 |
|---|---|
| SMILES | C[C@@H]1C[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)N.Cl |
| InChIKey | GWFZKHINCFHION-HCPKQARPSA-N |
Product Overview
4'-Deoxydaunomycin (CAS 63568-77-4), with molecular formula C27H30ClNO9 and molecular weight 547.16 g/mol. IUPAC: (7S,9S)-9-acetyl-7-[(2R,4S,6R)-4-amino-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride.
Chemical Property Profile of 4'-Deoxydaunomycin
Property Insights of 4'-Deoxydaunomycin
The XLogP value of 2.4799 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Deoxydaunomycin. The TPSA of 166.0 Ų indicates high polarity, suggesting 4'-Deoxydaunomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4'-Deoxydaunomycin has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4'-Deoxydaunomycin?
The CAS number of 4'-Deoxydaunomycin is 63568-77-4.
What is the molecular formula of 4'-Deoxydaunomycin?
The molecular formula of 4'-Deoxydaunomycin is C27H30ClNO9.
What is the molecular weight of 4'-Deoxydaunomycin?
The molecular weight of 4'-Deoxydaunomycin is 547.16 g/mol.
Where can I buy 4'-Deoxydaunomycin?
You can request a quote for 4'-Deoxydaunomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Deoxydaunomycin?
Yes, KEHONG BIO provides custom synthesis services for 4'-Deoxydaunomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.