Actinorhodin
TL;DR: Actinorhodin (CAS 1397-77-9) is a chemical compound with molecular formula C32H26O14 and molecular weight 634.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[8-[3-(carboxymethyl)-5,6,9,10-tetrahydroxy-1-methyl-3,4-dihydro-1H-benzo[g]isochromen-8-yl]-1-methyl-5,6,9,10-tetraoxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid
Also Known As: Actinorhodin, Actinorhodine, 2-[(1R,3S)-8-[(1R,3S)-3-(carboxymethyl)-5,10-dihydroxy-1-met, (8,8'-Bi-1H-naphtho(2,3-c)pyran)-3,3'-diacetic acid, 3,3',4,4',5,5',10,10'-octahydro-6,6',9,9'-tetrahydroxy-1,1'-dimethyl-5,5',10,10'-tetraoxo-, (1R,1'R,3S,3'S)-, 2-[(1R,3S)-8-[(1R,3S)-3-(carboxymethyl)-5,10-dihydroxy-1-methyl-6,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-8-yl]-5,10-dihydroxy-1-methyl-6,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid
| Molecular Formula | C32H26O14 |
|---|---|
| Molecular Weight | 634.13 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 242.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 5 |
| Exact Mass | 634.13226 |
| Heavy Atoms | 46 |
| Complexity | 1520.0 |
Chemical Identifiers
| CAS Number | 1397-77-9 |
|---|---|
| SMILES | CC1C2=C(CC(O1)CC(=O)O)C(=O)C3=C(C2=O)C(=O)C(=CC3=O)C4=CC(=C5C(=C4O)C(=C6C(OC(CC6=C5O)CC(=O)O)C)O)O |
| InChIKey | MGFJRQUGYNFFDQ-UHFFFAOYSA-N |
Product Overview
Actinorhodin (CAS 1397-77-9), with molecular formula C32H26O14 and molecular weight 634.13 g/mol. IUPAC: 2-[8-[3-(carboxymethyl)-5,6,9,10-tetrahydroxy-1-methyl-3,4-dihydro-1H-benzo[g]isochromen-8-yl]-1-methyl-5,6,9,10-tetraoxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid.
Chemical Property Profile of Actinorhodin
Property Insights of Actinorhodin
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Actinorhodin. The TPSA of 242.0 Ų indicates high polarity, suggesting Actinorhodin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Actinorhodin has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Actinorhodin?
The CAS number of Actinorhodin is 1397-77-9.
What is the molecular formula of Actinorhodin?
The molecular formula of Actinorhodin is C32H26O14.
What is the molecular weight of Actinorhodin?
The molecular weight of Actinorhodin is 634.13 g/mol.
Where can I buy Actinorhodin?
You can request a quote for Actinorhodin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Actinorhodin?
Yes, KEHONG BIO provides custom synthesis services for Actinorhodin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.