Mederrhodin B
TL;DR: Mederrhodin B (CAS 97343-12-9) is a chemical compound with molecular formula C24H29NO9 and molecular weight 475.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1R)-8-[(5S,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-5,10-dihydroxy-1-methyl-6,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid
Also Known As: Mederrhodin B, Dihydromederrhodin A, 2-[(1R)-8-[(5S,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-5,10-dihydroxy-1-methyl-6,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid, 1H-Naphtho(2,3-c)pyran-3-acetic acid, 3,4,5,10-tetrahydro-6,9-dihydroxy-1-methyl-5,10-dioxo-8-(2,3,6-trideoxy-3-(dimethylamino)-D-arabino-hexopyranosyl)-, (1R-trans)-, 1,5-Anhydro-1-[(1R)-3-(carboxymethyl)-5,10-dihydroxy-1-methyl-6,9-dioxo-3,4,6,9-tetrahydro-1H-naphtho[2,3-c]pyran-8-yl]-2,3,6-trideoxy-3-(dimethylamino)-D-erythro-hexitol
| Molecular Formula | C24H29NO9 |
|---|---|
| Molecular Weight | 475.18 g/mol |
| LogP | 1.3487 |
| Topological Polar Surface Area | 153.83 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 475.18423 |
| Heavy Atoms | 34 |
| Complexity | 1092.6499 |
Chemical Identifiers
| CAS Number | 97343-12-9 |
|---|---|
| SMILES | C[C@@H]1[C@H](C(CC(O1)C2=CC(=O)C3=C(C4=C([C@H](OC(C4)CC(=O)O)C)C(=C3C2=O)O)O)N(C)C)O |
Product Overview
Mederrhodin B (CAS 97343-12-9), with molecular formula C24H29NO9 and molecular weight 475.18 g/mol. IUPAC: 2-[(1R)-8-[(5S,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-5,10-dihydroxy-1-methyl-6,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid.
Chemical Property Profile of Mederrhodin B
Property Insights of Mederrhodin B
The XLogP value of 1.3487 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mederrhodin B. The TPSA of 153.83 Ų indicates high polarity, suggesting Mederrhodin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mederrhodin B has 4 hydrogen bond donor(s) and 9 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 B?
The CAS number of Mederrhodin B is 97343-12-9.
What is the molecular formula of Mederrhodin B?
The molecular formula of Mederrhodin B is C24H29NO9.
What is the molecular weight of Mederrhodin B?
The molecular weight of Mederrhodin B is 475.18 g/mol.
Where can I buy Mederrhodin B?
You can request a quote for Mederrhodin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mederrhodin B?
Yes, KEHONG BIO provides custom synthesis services for Mederrhodin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.