13-Deoxocarminomycin
TL;DR: 13-Deoxocarminomycin (CAS 80115-70-4) is a chemical compound with molecular formula C26H29NO9 and molecular weight 499.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-amino-5-hydroxy-6-methyloxan-3-yl)oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 13-Deoxocarminomycin, 13-Deoxycarminomycin, 3-amino-1,5-anhydro-3,6-dideoxy-2-o-(3-ethyl-3,5,10,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl)hexitol, 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-ethyl-1,6,8,11-tetrahydroxy-, (8S-cis)-, 7-(4-amino-5-hydroxy-6-methyloxan-3-yl)oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
| Molecular Formula | C26H29NO9 |
|---|---|
| Molecular Weight | 499.18 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 180.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 499.18423 |
| Heavy Atoms | 36 |
| Complexity | 870.0 |
Chemical Identifiers
| CAS Number | 80115-70-4 |
|---|---|
| SMILES | CCC1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)OC5COC(C(C5N)O)C)O |
| InChIKey | YYIRGLZXKFVGTG-UHFFFAOYSA-N |
Product Overview
13-Deoxocarminomycin (CAS 80115-70-4), with molecular formula C26H29NO9 and molecular weight 499.18 g/mol. IUPAC: 7-(4-amino-5-hydroxy-6-methyloxan-3-yl)oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 13-Deoxocarminomycin
Property Insights of 13-Deoxocarminomycin
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 13-Deoxocarminomycin. The TPSA of 180.0 Ų indicates high polarity, suggesting 13-Deoxocarminomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 13-Deoxocarminomycin has 6 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 13-Deoxocarminomycin?
The CAS number of 13-Deoxocarminomycin is 80115-70-4.
What is the molecular formula of 13-Deoxocarminomycin?
The molecular formula of 13-Deoxocarminomycin is C26H29NO9.
What is the molecular weight of 13-Deoxocarminomycin?
The molecular weight of 13-Deoxocarminomycin is 499.18 g/mol.
Where can I buy 13-Deoxocarminomycin?
You can request a quote for 13-Deoxocarminomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13-Deoxocarminomycin?
Yes, KEHONG BIO provides custom synthesis services for 13-Deoxocarminomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.