泛艾黴素
TL;DR: 泛艾黴素 (CAS 56420-45-2) is a chemical compound with molecular formula C27H29NO11 and molecular weight 543.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
泛艾黴素
(7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Epirubicin, Epiadriamycin, Epidoxorubicin, Epirubicine, 4'-Epiadriamycin
| Molecular Formula | C27H29NO11 |
|---|---|
| Molecular Weight | 543.17 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 206.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 543.1741 |
| Heavy Atoms | 39 |
| Complexity | 977.0 |
| Melting Point | 344.53 |
| Solubility | 0.093 |
Chemical Identifiers
| CAS Number | 56420-45-2 |
|---|---|
| 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=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O |
| InChIKey | AOJJSUZBOXZQNB-VTZDEGQISA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
泛艾黴素 (CAS 56420-45-2), with molecular formula C27H29NO11 and molecular weight 543.17 g/mol. IUPAC: (7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 泛艾黴素
Property Insights of 泛艾黴素
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 泛艾黴素. The TPSA of 206.0 Ų indicates high polarity, suggesting 泛艾黴素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 泛艾黴素 has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 泛艾黴素?
The CAS number of 泛艾黴素 is 56420-45-2.
What is the molecular formula of 泛艾黴素?
The molecular formula of 泛艾黴素 is C27H29NO11.
What is the molecular weight of 泛艾黴素?
The molecular weight of 泛艾黴素 is 543.17 g/mol.
Where can I buy 泛艾黴素?
You can request a quote for 泛艾黴素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 泛艾黴素?
Yes, KEHONG BIO provides custom synthesis services for 泛艾黴素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.