3'-C-Methyldaunorubicin
TL;DR: 3'-C-Methyldaunorubicin (CAS 95087-05-1) is a chemical compound with molecular formula C28H31NO10 and molecular weight 541.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-acetyl-7-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 3'-C-Methyldaunorubicin, 3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-3-methylhexopyranoside, 5,12-Naphthacenedione, 8-acetyl-10-((3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-, 9-acetyl-7-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione, RefChem:90334
| Molecular Formula | C28H31NO10 |
|---|---|
| Molecular Weight | 541.19 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 541.1948 |
| Heavy Atoms | 39 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 95087-05-1 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)(C)N)O |
| InChIKey | FSIMYNFYCYZUON-UHFFFAOYSA-N |
Product Overview
3'-C-Methyldaunorubicin (CAS 95087-05-1), with molecular formula C28H31NO10 and molecular weight 541.19 g/mol. IUPAC: 9-acetyl-7-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 3'-C-Methyldaunorubicin
Property Insights of 3'-C-Methyldaunorubicin
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-C-Methyldaunorubicin. The TPSA of 186.0 Ų indicates high polarity, suggesting 3'-C-Methyldaunorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3'-C-Methyldaunorubicin 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 3'-C-Methyldaunorubicin?
The CAS number of 3'-C-Methyldaunorubicin is 95087-05-1.
What is the molecular formula of 3'-C-Methyldaunorubicin?
The molecular formula of 3'-C-Methyldaunorubicin is C28H31NO10.
What is the molecular weight of 3'-C-Methyldaunorubicin?
The molecular weight of 3'-C-Methyldaunorubicin is 541.19 g/mol.
Where can I buy 3'-C-Methyldaunorubicin?
You can request a quote for 3'-C-Methyldaunorubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-C-Methyldaunorubicin?
Yes, KEHONG BIO provides custom synthesis services for 3'-C-Methyldaunorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.