Rubrolone
TL;DR: Rubrolone (CAS 65445-21-8) is a chemical compound with molecular formula C23H23NO8 and molecular weight 441.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,15,16,17-tetrahydroxy-6,18-dimethyl-8-propyl-19,21-dioxa-7-azapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),2,4(9),5,7,11-hexaene-10,13-dione
Also Known As: Rubrolone, Pigment A, Ro 21-1660/002, 2,15,16,17-tetrahydroxy-6,18-dimethyl-8-propyl-19,21-dioxa-7-azapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),2,4(9),5,7,11-hexaene-10,13-dione, 2H-Pyrano(3'',2'':4',5')furo(3',2':6,7)azuleno(2,1-c)pyridine-7,12-dione, 3,4,4a,13a-tetrahydro-3,4,4a,5-tetrahydroxy-2,10-dimethyl-8-propyl-, (2R-(2alpha,3alpha,4alpha,4abeta,13abeta))-
| Molecular Formula | C23H23NO8 |
|---|---|
| Molecular Weight | 441.14 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 441.14236 |
| Heavy Atoms | 32 |
| Complexity | 982.0 |
Chemical Identifiers
| CAS Number | 65445-21-8 |
|---|---|
| SMILES | CCCC1=NC(=CC2=C1C(=O)C3=CC(=O)C4=C(C(=C32)O)OC5C4(C(C(C(O5)C)O)O)O)C |
| InChIKey | FSBWLHLWIYLPKF-UHFFFAOYSA-N |
Product Overview
Rubrolone (CAS 65445-21-8), with molecular formula C23H23NO8 and molecular weight 441.14 g/mol. IUPAC: 2,15,16,17-tetrahydroxy-6,18-dimethyl-8-propyl-19,21-dioxa-7-azapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),2,4(9),5,7,11-hexaene-10,13-dione.
Chemical Property Profile of Rubrolone
Property Insights of Rubrolone
The XLogP value of -0.7 indicates that Rubrolone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 146.0 Ų indicates high polarity, suggesting Rubrolone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Rubrolone 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 Rubrolone?
The CAS number of Rubrolone is 65445-21-8.
What is the molecular formula of Rubrolone?
The molecular formula of Rubrolone is C23H23NO8.
What is the molecular weight of Rubrolone?
The molecular weight of Rubrolone is 441.14 g/mol.
Where can I buy Rubrolone?
You can request a quote for Rubrolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rubrolone?
Yes, KEHONG BIO provides custom synthesis services for Rubrolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.