Cedrin
TL;DR: Cedrin (CAS 6040-62-6) is a chemical compound with molecular formula C15H18O6 and molecular weight 294.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dihydroxy-9-methoxy-3,5a-dimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione
Also Known As: Cedrin, 5-nitro-3-thiophenecarbaldehyde, Naphtho(1,2-b)furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-4,5-dihydroxy-9-methoxy-3,5a-dimethyl-, 4,5-dihydroxy-9-methoxy-3,5a-dimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione, 4,5-Dihydroxy-9-methoxy-3,5a-dimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione
| Molecular Formula | C15H18O6 |
|---|---|
| Molecular Weight | 294.11 g/mol |
| LogP | -0.0548 |
| Topological Polar Surface Area | 93.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 294.11035 |
| Heavy Atoms | 21 |
| Complexity | 576.7129 |
Chemical Identifiers
| CAS Number | 6040-62-6 |
|---|---|
| SMILES | CC1C2C(C(C3(C=CC(=O)C(=C3C2OC1=O)OC)C)O)O |
Product Overview
Cedrin (CAS 6040-62-6), with molecular formula C15H18O6 and molecular weight 294.11 g/mol. IUPAC: 4,5-dihydroxy-9-methoxy-3,5a-dimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione.
Chemical Property Profile of Cedrin
Property Insights of Cedrin
The XLogP value of -0.0548 indicates that Cedrin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Cedrin. Following Lipinski's Rule of Five, Cedrin has 2 hydrogen bond donor(s) and 6 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 Cedrin?
The CAS number of Cedrin is 6040-62-6.
What is the molecular formula of Cedrin?
The molecular formula of Cedrin is C15H18O6.
What is the molecular weight of Cedrin?
The molecular weight of Cedrin is 294.11 g/mol.
Where can I buy Cedrin?
You can request a quote for Cedrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cedrin?
Yes, KEHONG BIO provides custom synthesis services for Cedrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.