14-Chlorocarubicin
TL;DR: 14-Chlorocarubicin (CAS 126722-64-3) is a chemical compound with molecular formula C26H26ClNO10 and molecular weight 547.12 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)-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 14-Chlorocarubicin, 14-Chlorocarminomycin, 5-(trifluoromethyl)-1,3-benzoxazole, 7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9-(2-chloroacetyl)-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione, 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-(chloroacetyl)-1,6,8,11-tetrahydroxy-, (8S-cis)-
| Molecular Formula | C26H26ClNO10 |
|---|---|
| Molecular Weight | 547.12 g/mol |
| LogP | 0.9448 |
| Topological Polar Surface Area | 196.84 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 547.1245 |
| Heavy Atoms | 38 |
| Complexity | 1364.5281 |
Chemical Identifiers
| CAS Number | 126722-64-3 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)O)O)(C(=O)CCl)O)N)O |
Product Overview
14-Chlorocarubicin (CAS 126722-64-3), with molecular formula C26H26ClNO10 and molecular weight 547.12 g/mol. IUPAC: 7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9-(2-chloroacetyl)-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 14-Chlorocarubicin
Property Insights of 14-Chlorocarubicin
The XLogP value of 0.9448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 14-Chlorocarubicin. The TPSA of 196.84 Ų indicates high polarity, suggesting 14-Chlorocarubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 14-Chlorocarubicin has 6 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-Chlorocarubicin?
The CAS number of 14-Chlorocarubicin is 126722-64-3.
What is the molecular formula of 14-Chlorocarubicin?
The molecular formula of 14-Chlorocarubicin is C26H26ClNO10.
What is the molecular weight of 14-Chlorocarubicin?
The molecular weight of 14-Chlorocarubicin is 547.12 g/mol.
Where can I buy 14-Chlorocarubicin?
You can request a quote for 14-Chlorocarubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 14-Chlorocarubicin?
Yes, KEHONG BIO provides custom synthesis services for 14-Chlorocarubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.