5-iminodaunorubicin hydrochloride
TL;DR: 5-iminodaunorubicin hydrochloride (CAS 67324-99-6) is a chemical compound with molecular formula C27H31ClN2O9 and molecular weight 562.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,10S)-8-acetyl-10-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,8,11-trihydroxy-12-imino-1-methoxy-9,10-dihydro-7H-tetracen-5-one;hydrochloride
Also Known As: 5-iminodaunorubicin hydrochloride, 5-Iminodaunorubicin, 5-Iminodaunorubicin (hydrochloride), 12-IMINODAUNORUBICIN HCL, 5(8H)-Naphthacenone, 8-acetyl-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,9,10,12-tetrahydro-6,8,11-trihydroxy-12-imino-1-methoxy-, monohydrochloride, (8S-cis)-
| Molecular Formula | C27H31ClN2O9 |
|---|---|
| Molecular Weight | 562.17 g/mol |
| LogP | 1.64 |
| Topological Polar Surface Area | 193.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 562.1718 |
| Heavy Atoms | 39 |
| Complexity | 963.0 |
Chemical Identifiers
| CAS Number | 67324-99-6 |
|---|---|
| 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=N)C(=CC=C5)OC)O)(C(=O)C)O)N)O.Cl |
| InChIKey | KVTVLWOKIDKIQL-KOFUDPRISA-N |
Product Overview
5-iminodaunorubicin hydrochloride (CAS 67324-99-6), with molecular formula C27H31ClN2O9 and molecular weight 562.17 g/mol. IUPAC: (8S,10S)-8-acetyl-10-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,8,11-trihydroxy-12-imino-1-methoxy-9,10-dihydro-7H-tetracen-5-one;hydrochloride.
Chemical Property Profile of 5-iminodaunorubicin hydrochloride
Property Insights of 5-iminodaunorubicin hydrochloride
The XLogP value of 1.64 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-iminodaunorubicin hydrochloride. The TPSA of 193.0 Ų indicates high polarity, suggesting 5-iminodaunorubicin hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-iminodaunorubicin 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 5-iminodaunorubicin hydrochloride?
The CAS number of 5-iminodaunorubicin hydrochloride is 67324-99-6.
What is the molecular formula of 5-iminodaunorubicin hydrochloride?
The molecular formula of 5-iminodaunorubicin hydrochloride is C27H31ClN2O9.
What is the molecular weight of 5-iminodaunorubicin hydrochloride?
The molecular weight of 5-iminodaunorubicin hydrochloride is 562.17 g/mol.
Where can I buy 5-iminodaunorubicin hydrochloride?
You can request a quote for 5-iminodaunorubicin hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-iminodaunorubicin hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 5-iminodaunorubicin hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.