Mederrhodin A
TL;DR: Mederrhodin A (CAS 97413-41-7) is a chemical compound with molecular formula C24H27NO9 and molecular weight 473.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(11R,15R,17R)-5-[(5S,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-2,9-dihydroxy-17-methyl-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-4,7,13-trione
Also Known As: Mederrhodin A, 6-Hydroxymedermycin, 2H-Furo(3,2-b)naphtho(2,3-d)pyran-2,6,11-trione, 3,3a,5,11b-tetrahydro-7,10-dihydroxy-5-methyl-8-(2,3,6-trideoxy-3-(dimethylamino)-D-arabino-hexopyranosyl)-, (3aR-(3aalpha,5alpha,11balpha))-, (11R,15R,17R)-5-((5S,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl)-2,9-dihydroxy-17-methyl-12,16-dioxatetracyclo(8.7.0.03,8.011,15)heptadeca-1(10),2,5,8-tetraene-4,7,13-trione, (11R,15R,17R)-5-[(5S,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-2,9-dihydroxy-17-methyl-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-4,7,13-trione
| Molecular Formula | C24H27NO9 |
|---|---|
| Molecular Weight | 473.17 g/mol |
| LogP | 1.3195 |
| Topological Polar Surface Area | 142.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 473.16858 |
| Heavy Atoms | 34 |
| Complexity | 1139.9882 |
Chemical Identifiers
| CAS Number | 97413-41-7 |
|---|---|
| SMILES | C[C@@H]1[C@H](C(CC(O1)C2=CC(=O)C3=C(C4=C([C@H](O[C@H]5[C@@H]4OC(=O)C5)C)C(=C3C2=O)O)O)N(C)C)O |
Product Overview
Mederrhodin A (CAS 97413-41-7), with molecular formula C24H27NO9 and molecular weight 473.17 g/mol. IUPAC: (11R,15R,17R)-5-[(5S,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-2,9-dihydroxy-17-methyl-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-4,7,13-trione.
Chemical Property Profile of Mederrhodin A
Property Insights of Mederrhodin A
The XLogP value of 1.3195 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mederrhodin A. The TPSA of 142.83 Ų indicates high polarity, suggesting Mederrhodin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mederrhodin A has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Mederrhodin A?
The CAS number of Mederrhodin A is 97413-41-7.
What is the molecular formula of Mederrhodin A?
The molecular formula of Mederrhodin A is C24H27NO9.
What is the molecular weight of Mederrhodin A?
The molecular weight of Mederrhodin A is 473.17 g/mol.
Where can I buy Mederrhodin A?
You can request a quote for Mederrhodin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mederrhodin A?
Yes, KEHONG BIO provides custom synthesis services for Mederrhodin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.