14-Salicyloyldaunorubicin
TL;DR: 14-Salicyloyldaunorubicin (CAS 13587-78-5) is a chemical compound with molecular formula C34H33NO13 and molecular weight 663.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] 2-hydroxybenzoate
Also Known As: 14-Salicyloyldaunorubicin, 14-salicyloylrubomycin, 14-Salicyloyloxyrubomycin, (S)-2-AMINOOCTANOIC ACID, [2-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] 2-hydroxybenzoate
| Molecular Formula | C34H33NO13 |
|---|---|
| Molecular Weight | 663.20 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 232.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 663.1952 |
| Heavy Atoms | 48 |
| Complexity | 1250.0 |
Chemical Identifiers
| CAS Number | 13587-78-5 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)COC(=O)C6=CC=CC=C6O)O)N)O |
| InChIKey | KLMZCYMMWMOKFU-UHFFFAOYSA-N |
Product Overview
14-Salicyloyldaunorubicin (CAS 13587-78-5), with molecular formula C34H33NO13 and molecular weight 663.20 g/mol. IUPAC: [2-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] 2-hydroxybenzoate.
Chemical Property Profile of 14-Salicyloyldaunorubicin
Property Insights of 14-Salicyloyldaunorubicin
The XLogP value of 3.1 indicates that 14-Salicyloyldaunorubicin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 232.0 Ų indicates high polarity, suggesting 14-Salicyloyldaunorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 14-Salicyloyldaunorubicin has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 14-Salicyloyldaunorubicin?
The CAS number of 14-Salicyloyldaunorubicin is 13587-78-5.
What is the molecular formula of 14-Salicyloyldaunorubicin?
The molecular formula of 14-Salicyloyldaunorubicin is C34H33NO13.
What is the molecular weight of 14-Salicyloyldaunorubicin?
The molecular weight of 14-Salicyloyldaunorubicin is 663.20 g/mol.
Where can I buy 14-Salicyloyldaunorubicin?
You can request a quote for 14-Salicyloyldaunorubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 14-Salicyloyldaunorubicin?
Yes, KEHONG BIO provides custom synthesis services for 14-Salicyloyldaunorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.