9-Hydroxymethyl-9-deacetyldaunorubicin hydrochloride
TL;DR: 9-Hydroxymethyl-9-deacetyldaunorubicin hydrochloride (CAS 26164-47-6) is a chemical compound with molecular formula C27H32ClNO10 and molecular weight 565.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(1-hydroxyethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Also Known As: Antibiotic RP 20798, Daunorubicinol HCl, Dihydrodaunomycin HCl, Dihydrodaunomycin hydrochloride, daunorubicinol hydrochloride
| Molecular Formula | C27H32ClNO10 |
|---|---|
| Molecular Weight | 565.17 g/mol |
| LogP | 1.2425 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 565.17145 |
| Heavy Atoms | 39 |
| Complexity | 918.0 |
Chemical Identifiers
| CAS Number | 26164-47-6 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(C)O)O)N)O.Cl |
| InChIKey | LQLMJJJLWJUAMM-UHFFFAOYSA-N |
Product Overview
9-Hydroxymethyl-9-deacetyldaunorubicin hydrochloride (CAS 26164-47-6), with molecular formula C27H32ClNO10 and molecular weight 565.17 g/mol. IUPAC: 7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(1-hydroxyethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride.
Chemical Property Profile of 9-Hydroxymethyl-9-deacetyldaunorubicin hydrochloride
Property Insights of 9-Hydroxymethyl-9-deacetyldaunorubicin hydrochloride
The XLogP value of 1.2425 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Hydroxymethyl-9-deacetyldaunorubicin hydrochloride. The TPSA of 189.0 Ų indicates high polarity, suggesting 9-Hydroxymethyl-9-deacetyldaunorubicin hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9-Hydroxymethyl-9-deacetyldaunorubicin hydrochloride has 7 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-Hydroxymethyl-9-deacetyldaunorubicin hydrochloride?
The CAS number of 9-Hydroxymethyl-9-deacetyldaunorubicin hydrochloride is 26164-47-6.
What is the molecular formula of 9-Hydroxymethyl-9-deacetyldaunorubicin hydrochloride?
The molecular formula of 9-Hydroxymethyl-9-deacetyldaunorubicin hydrochloride is C27H32ClNO10.
What is the molecular weight of 9-Hydroxymethyl-9-deacetyldaunorubicin hydrochloride?
The molecular weight of 9-Hydroxymethyl-9-deacetyldaunorubicin hydrochloride is 565.17 g/mol.
Where can I buy 9-Hydroxymethyl-9-deacetyldaunorubicin hydrochloride?
You can request a quote for 9-Hydroxymethyl-9-deacetyldaunorubicin hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Hydroxymethyl-9-deacetyldaunorubicin hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 9-Hydroxymethyl-9-deacetyldaunorubicin hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.