Hydroxyrubicin
TL;DR: Hydroxyrubicin (CAS 7595-97-3) is a chemical compound with molecular formula C27H28O12 and molecular weight 544.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,9S)-7-[(2R,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Hydroxyrubicin, Hydroxydoxorubicin, 3-DHD, 3'-Deamino-3'-hydroxydoxorubicin, KST-1A8107
| Molecular Formula | C27H28O12 |
|---|---|
| Molecular Weight | 544.16 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 200.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 544.1581 |
| Heavy Atoms | 39 |
| Complexity | 972.0 |
Chemical Identifiers
| CAS Number | 7595-97-3 |
|---|---|
| SMILES | C[C@H]1[C@H](C(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)O |
| InChIKey | HEQRYQONNHFDHG-HUMBMPJMSA-N |
Product Overview
Hydroxyrubicin (CAS 7595-97-3), with molecular formula C27H28O12 and molecular weight 544.16 g/mol. IUPAC: (7S,9S)-7-[(2R,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of Hydroxyrubicin
Property Insights of Hydroxyrubicin
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hydroxyrubicin. The TPSA of 200.0 Ų indicates high polarity, suggesting Hydroxyrubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hydroxyrubicin has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hydroxyrubicin?
The CAS number of Hydroxyrubicin is 7595-97-3.
What is the molecular formula of Hydroxyrubicin?
The molecular formula of Hydroxyrubicin is C27H28O12.
What is the molecular weight of Hydroxyrubicin?
The molecular weight of Hydroxyrubicin is 544.16 g/mol.
Where can I buy Hydroxyrubicin?
You can request a quote for Hydroxyrubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydroxyrubicin?
Yes, KEHONG BIO provides custom synthesis services for Hydroxyrubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.