13-Deoxycarminomycin
TL;DR: 13-Deoxycarminomycin (CAS 76034-18-9) 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.
(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 13-Deoxycarminomycin, 13-Deoxocarminomycin, Doxorubicin Impurity 23, Antibiotic D 788-11, 13-Deoxocarminomycin I
| Molecular Formula | C26H29NO9 |
|---|---|
| Molecular Weight | 499.18 g/mol |
| LogP | 2.7 |
| 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 | 76034-18-9 |
|---|---|
| SMILES | CC[C@]1(C[C@@H](C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)O |
| InChIKey | UHYFCDBUKBJSFA-JYFLSIMMSA-N |
Product Overview
13-Deoxycarminomycin (CAS 76034-18-9), with molecular formula C26H29NO9 and molecular weight 499.18 g/mol. IUPAC: (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 13-Deoxycarminomycin
Property Insights of 13-Deoxycarminomycin
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 13-Deoxycarminomycin. The TPSA of 180.0 Ų indicates high polarity, suggesting 13-Deoxycarminomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 13-Deoxycarminomycin 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-Deoxycarminomycin?
The CAS number of 13-Deoxycarminomycin is 76034-18-9.
What is the molecular formula of 13-Deoxycarminomycin?
The molecular formula of 13-Deoxycarminomycin is C26H29NO9.
What is the molecular weight of 13-Deoxycarminomycin?
The molecular weight of 13-Deoxycarminomycin is 499.18 g/mol.
Where can I buy 13-Deoxycarminomycin?
You can request a quote for 13-Deoxycarminomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13-Deoxycarminomycin?
Yes, KEHONG BIO provides custom synthesis services for 13-Deoxycarminomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.