3'-Hydroxyesorubicin
TL;DR: 3'-Hydroxyesorubicin (CAS 130592-19-7) is a chemical compound with molecular formula C27H28O11 and molecular weight 528.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,9S)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[(2R,4S,6R)-4-hydroxy-6-methyloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 3'-Hydroxyesorubicin, 3/'-hydroxyesorubicin, Butanoic acid,4-amino-2,2-difluoro, (7S,9S)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[(2R,4S,6R)-4-hydroxy-6-methyloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione, (8S,10S)-6,8,11-Trihydroxy-8-(hydroxyacetyl)-10-{[(2R,4S,6R)-4-hydroxy-6-methyloxan-2-yl]oxy}-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione
| Molecular Formula | C27H28O11 |
|---|---|
| Molecular Weight | 528.16 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 180.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 528.16315 |
| Heavy Atoms | 38 |
| Complexity | 940.0 |
Chemical Identifiers
| CAS Number | 130592-19-7 |
|---|---|
| SMILES | C[C@@H]1C[C@@H](C[C@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)O |
| InChIKey | TZBDURDLNXOXBK-HWDYCMBPSA-N |
Product Overview
3'-Hydroxyesorubicin (CAS 130592-19-7), with molecular formula C27H28O11 and molecular weight 528.16 g/mol. IUPAC: (7S,9S)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[(2R,4S,6R)-4-hydroxy-6-methyloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 3'-Hydroxyesorubicin
Property Insights of 3'-Hydroxyesorubicin
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-Hydroxyesorubicin. The TPSA of 180.0 Ų indicates high polarity, suggesting 3'-Hydroxyesorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3'-Hydroxyesorubicin 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'-Hydroxyesorubicin?
The CAS number of 3'-Hydroxyesorubicin is 130592-19-7.
What is the molecular formula of 3'-Hydroxyesorubicin?
The molecular formula of 3'-Hydroxyesorubicin is C27H28O11.
What is the molecular weight of 3'-Hydroxyesorubicin?
The molecular weight of 3'-Hydroxyesorubicin is 528.16 g/mol.
Where can I buy 3'-Hydroxyesorubicin?
You can request a quote for 3'-Hydroxyesorubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Hydroxyesorubicin?
Yes, KEHONG BIO provides custom synthesis services for 3'-Hydroxyesorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.