14-Chlorodaunorubicin
TL;DR: 14-Chlorodaunorubicin (CAS 14313-92-9) is a chemical compound with molecular formula C27H28ClNO10 and molecular weight 561.14 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-2-yl)oxy-9-(2-chloroacetyl)-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 14-Chlorodaunorubicin, 14-Chlororubomycin, 14-Chloro Daunorubicin, 7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9-(2-chloroacetyl)-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione, 3-(chloroacetyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside
| Molecular Formula | C27H28ClNO10 |
|---|---|
| Molecular Weight | 561.14 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 561.1402 |
| Heavy Atoms | 39 |
| Complexity | 982.0 |
Chemical Identifiers
| CAS Number | 14313-92-9 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CCl)O)N)O |
| InChIKey | YPCKPOWJKPVJRQ-UHFFFAOYSA-N |
Product Overview
14-Chlorodaunorubicin (CAS 14313-92-9), with molecular formula C27H28ClNO10 and molecular weight 561.14 g/mol. IUPAC: 7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9-(2-chloroacetyl)-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 14-Chlorodaunorubicin
Property Insights of 14-Chlorodaunorubicin
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 14-Chlorodaunorubicin. The TPSA of 186.0 Ų indicates high polarity, suggesting 14-Chlorodaunorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 14-Chlorodaunorubicin 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 14-Chlorodaunorubicin?
The CAS number of 14-Chlorodaunorubicin is 14313-92-9.
What is the molecular formula of 14-Chlorodaunorubicin?
The molecular formula of 14-Chlorodaunorubicin is C27H28ClNO10.
What is the molecular weight of 14-Chlorodaunorubicin?
The molecular weight of 14-Chlorodaunorubicin is 561.14 g/mol.
Where can I buy 14-Chlorodaunorubicin?
You can request a quote for 14-Chlorodaunorubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 14-Chlorodaunorubicin?
Yes, KEHONG BIO provides custom synthesis services for 14-Chlorodaunorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.