13-Dihydro-5-iminodaunorubicin hydrochloride
TL;DR: 13-Dihydro-5-iminodaunorubicin hydrochloride (CAS 82267-09-2) is a chemical compound with molecular formula C27H32N2O9 and molecular weight 528.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,8,11-trihydroxy-8-(1-hydroxyethyl)-12-imino-1-methoxy-9,10-dihydro-7H-tetracen-5-one
Also Known As: 13-Dihydro-5-iminodaunorubicin hydrochloride, 10-((3-Amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,9,10,12-tetrahydro-6,8,11-trihydroxy-8-(1-hydroxyethyl)-12-imino-1-methoxy-5(8H)-naphthacenone, 5(8H)-Naphthacenone, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,9,10,12-tetrahydro-6,8,11-trihydroxy-8-(1-hydroxyethyl)-12-imino-1-methoxy-, 11-amino-1-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-3,6-dihydroxy-3-(1-hydroxyethyl)-10-methoxy-2,4-dihydro-1H-tetracene-5,12-dione, 11-amino-1-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-oxan-2-yl]oxy-3,6-dihydroxy-3-(1-hydroxyethyl)-10-methoxy-2,4-dihydro-1H-tetracene-5,12-dione
| Molecular Formula | C27H32N2O9 |
|---|---|
| Molecular Weight | 528.21 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 196.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 528.21075 |
| Heavy Atoms | 38 |
| Complexity | 921.0 |
Chemical Identifiers
| CAS Number | 82267-09-2 |
|---|---|
| SMILES | C[C@H]1[C@H]([C@H](C[C@@H](O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=N)C(=CC=C5)OC)O)(C(C)O)O)N)O |
| InChIKey | XVQSGZQPJLBOCL-NKQWUHHFSA-N |
Product Overview
13-Dihydro-5-iminodaunorubicin hydrochloride (CAS 82267-09-2), with molecular formula C27H32N2O9 and molecular weight 528.21 g/mol. IUPAC: 10-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,8,11-trihydroxy-8-(1-hydroxyethyl)-12-imino-1-methoxy-9,10-dihydro-7H-tetracen-5-one.
Chemical Property Profile of 13-Dihydro-5-iminodaunorubicin hydrochloride
Property Insights of 13-Dihydro-5-iminodaunorubicin hydrochloride
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 13-Dihydro-5-iminodaunorubicin hydrochloride. The TPSA of 196.0 Ų indicates high polarity, suggesting 13-Dihydro-5-iminodaunorubicin hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 13-Dihydro-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 13-Dihydro-5-iminodaunorubicin hydrochloride?
The CAS number of 13-Dihydro-5-iminodaunorubicin hydrochloride is 82267-09-2.
What is the molecular formula of 13-Dihydro-5-iminodaunorubicin hydrochloride?
The molecular formula of 13-Dihydro-5-iminodaunorubicin hydrochloride is C27H32N2O9.
What is the molecular weight of 13-Dihydro-5-iminodaunorubicin hydrochloride?
The molecular weight of 13-Dihydro-5-iminodaunorubicin hydrochloride is 528.21 g/mol.
Where can I buy 13-Dihydro-5-iminodaunorubicin hydrochloride?
You can request a quote for 13-Dihydro-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 13-Dihydro-5-iminodaunorubicin hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 13-Dihydro-5-iminodaunorubicin hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.