3'-Hydroxydaunorubicin
TL;DR: 3'-Hydroxydaunorubicin (CAS 64842-75-7) 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)-9-acetyl-7-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Hydroxydaunorubicin, 3'-Hydroxydaunorubicin, 3 -Hydroxydaunomycin, 3 -Hydroxydaunorubicin, KST-1A7298
| Molecular Formula | C27H28O11 |
|---|---|
| Molecular Weight | 528.16 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 180.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 528.16315 |
| Heavy Atoms | 38 |
| Complexity | 955.0 |
Chemical Identifiers
| CAS Number | 64842-75-7 |
|---|---|
| SMILES | C[C@H]1[C@H]([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)C)O)O)O |
| InChIKey | QAFPIRVGDWNCDV-VGBVRHCVSA-N |
Product Overview
3'-Hydroxydaunorubicin (CAS 64842-75-7), with molecular formula C27H28O11 and molecular weight 528.16 g/mol. IUPAC: (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 3'-Hydroxydaunorubicin
Property Insights of 3'-Hydroxydaunorubicin
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-Hydroxydaunorubicin. The TPSA of 180.0 Ų indicates high polarity, suggesting 3'-Hydroxydaunorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3'-Hydroxydaunorubicin 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'-Hydroxydaunorubicin?
The CAS number of 3'-Hydroxydaunorubicin is 64842-75-7.
What is the molecular formula of 3'-Hydroxydaunorubicin?
The molecular formula of 3'-Hydroxydaunorubicin is C27H28O11.
What is the molecular weight of 3'-Hydroxydaunorubicin?
The molecular weight of 3'-Hydroxydaunorubicin is 528.16 g/mol.
Where can I buy 3'-Hydroxydaunorubicin?
You can request a quote for 3'-Hydroxydaunorubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Hydroxydaunorubicin?
Yes, KEHONG BIO provides custom synthesis services for 3'-Hydroxydaunorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.