9-Deoxydaunorubicin hydrochloride
TL;DR: 9-Deoxydaunorubicin hydrochloride (CAS 73068-99-2) is a chemical compound with molecular formula C27H30ClNO9 and molecular weight 547.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-acetyl-10-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;hydrochloride
Also Known As: 9-Deoxydaunorubicin hydrochloride, Cid 152948, 5,12-Naphthacenedione, 8-acetyl-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,11-dihydroxy-1-methoxy-, hydrochloride, (8R-trans)-, 8-acetyl-10-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione hydrochloride
| Molecular Formula | C27H30ClNO9 |
|---|---|
| Molecular Weight | 547.16 g/mol |
| LogP | 2.3358 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 547.1609 |
| Heavy Atoms | 38 |
| Complexity | 912.0 |
Chemical Identifiers
| CAS Number | 73068-99-2 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)C(=O)C)N)O.Cl |
| InChIKey | VEELPQWPRQDYTN-UHFFFAOYSA-N |
Product Overview
9-Deoxydaunorubicin hydrochloride (CAS 73068-99-2), with molecular formula C27H30ClNO9 and molecular weight 547.16 g/mol. IUPAC: 8-acetyl-10-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;hydrochloride.
Chemical Property Profile of 9-Deoxydaunorubicin hydrochloride
Property Insights of 9-Deoxydaunorubicin hydrochloride
The XLogP value of 2.3358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Deoxydaunorubicin hydrochloride. The TPSA of 166.0 Ų indicates high polarity, suggesting 9-Deoxydaunorubicin hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9-Deoxydaunorubicin hydrochloride has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9-Deoxydaunorubicin hydrochloride?
The CAS number of 9-Deoxydaunorubicin hydrochloride is 73068-99-2.
What is the molecular formula of 9-Deoxydaunorubicin hydrochloride?
The molecular formula of 9-Deoxydaunorubicin hydrochloride is C27H30ClNO9.
What is the molecular weight of 9-Deoxydaunorubicin hydrochloride?
The molecular weight of 9-Deoxydaunorubicin hydrochloride is 547.16 g/mol.
Where can I buy 9-Deoxydaunorubicin hydrochloride?
You can request a quote for 9-Deoxydaunorubicin hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Deoxydaunorubicin hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 9-Deoxydaunorubicin hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.