Actinorhodine
TL;DR: Actinorhodine (CAS 15828-92-9) 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-[7-[3-(carboxymethyl)-5,6,9,10-tetrahydroxy-1-methyl-3,4-dihydro-1H-benzo[g]isochromen-7-yl]-1-methyl-5,6,9,10-tetraoxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid
Also Known As: Actinorhodine, NCI60_002425, (7,7'-Bi-1H-naphtho(2,3-c)pyran)-3,3'-diacetic acid, 3,3',4,4',6,6',9,9'-octahydro-5,5',10,10'-tetrahydroxy-1,1'-dimethyl-6,6',9,9'-tetraoxo-, 2-[7-[3-(carboxymethyl)-5,10-dihydroxy-1-methyl-6,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-7-yl]-5,10-dihydroxy-1-methyl-6,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid, [7,7'-Bi-1H-naphtho[2,3-c]pyran]-3,3'-diacetic acid, 3,3',4,4',6,6',9,9'-octahydro-5,5',10,10'-tetrahydroxy-1,1'-dimethyl-6,6',9,9'-tetraoxo-
| 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 | 15828-92-9 |
|---|---|
| SMILES | CC1C2=C(CC(O1)CC(=O)O)C(=O)C3=C(C2=O)C(=O)C=C(C3=O)C4=CC(=C5C(=C4O)C(=C6CC(OC(C6=C5O)C)CC(=O)O)O)O |
| InChIKey | ABKAAFBFNWYLHX-UHFFFAOYSA-N |
Product Overview
Actinorhodine (CAS 15828-92-9), with molecular formula C32H26O14 and molecular weight 634.13 g/mol. IUPAC: 2-[7-[3-(carboxymethyl)-5,6,9,10-tetrahydroxy-1-methyl-3,4-dihydro-1H-benzo[g]isochromen-7-yl]-1-methyl-5,6,9,10-tetraoxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid.
Chemical Property Profile of Actinorhodine
Property Insights of Actinorhodine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Actinorhodine. The TPSA of 242.0 Ų indicates high polarity, suggesting Actinorhodine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Actinorhodine 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 Actinorhodine?
The CAS number of Actinorhodine is 15828-92-9.
What is the molecular formula of Actinorhodine?
The molecular formula of Actinorhodine is C32H26O14.
What is the molecular weight of Actinorhodine?
The molecular weight of Actinorhodine is 634.13 g/mol.
Where can I buy Actinorhodine?
You can request a quote for Actinorhodine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Actinorhodine?
Yes, KEHONG BIO provides custom synthesis services for Actinorhodine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.