9-Deoxydoxorubicin hydrochloride
TL;DR: 9-Deoxydoxorubicin hydrochloride (CAS 73027-02-8) is a chemical compound with molecular formula C27H30ClNO10 and molecular weight 563.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,10S)-10-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,11-dihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;hydrochloride
Also Known As: 9-Deoxydoxorubicin hydrochloride, 5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,11-dihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, (8R-trans)-, 5,12-Naphthacenedione, 10[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo, (8R,10S)-10-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,11-dihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione hydrochloride, (8R,10S)-10-[(3-Amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,11-dihydroxy-8-(hydroxyacetyl)-1-methoxy-12-naphthacenedione Hydrochloride
| Molecular Formula | C27H30ClNO10 |
|---|---|
| Molecular Weight | 563.16 g/mol |
| LogP | 1.3082 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 563.1558 |
| Heavy Atoms | 39 |
| Complexity | 930.0 |
Chemical Identifiers
| CAS Number | 73027-02-8 |
|---|---|
| SMILES | C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@H](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)C(=O)CO)N)O.Cl |
| InChIKey | AVFNRVRIGJBENC-BQKURXIXSA-N |
Product Overview
9-Deoxydoxorubicin hydrochloride (CAS 73027-02-8), with molecular formula C27H30ClNO10 and molecular weight 563.16 g/mol. IUPAC: (8R,10S)-10-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,11-dihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;hydrochloride.
Chemical Property Profile of 9-Deoxydoxorubicin hydrochloride
Property Insights of 9-Deoxydoxorubicin hydrochloride
The XLogP value of 1.3082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Deoxydoxorubicin hydrochloride. The TPSA of 186.0 Ų indicates high polarity, suggesting 9-Deoxydoxorubicin hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9-Deoxydoxorubicin hydrochloride has 6 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 9-Deoxydoxorubicin hydrochloride?
The CAS number of 9-Deoxydoxorubicin hydrochloride is 73027-02-8.
What is the molecular formula of 9-Deoxydoxorubicin hydrochloride?
The molecular formula of 9-Deoxydoxorubicin hydrochloride is C27H30ClNO10.
What is the molecular weight of 9-Deoxydoxorubicin hydrochloride?
The molecular weight of 9-Deoxydoxorubicin hydrochloride is 563.16 g/mol.
Where can I buy 9-Deoxydoxorubicin hydrochloride?
You can request a quote for 9-Deoxydoxorubicin hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Deoxydoxorubicin hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 9-Deoxydoxorubicin hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.