Caesalpin J
TL;DR: Caesalpin J (CAS 6313-02-6) is a chemical compound with molecular formula C17H16O6 and molecular weight 316.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,9-trihydroxy-17-methoxy-11-oxatetracyclo[7.7.1.01,12.02,7]heptadeca-2,4,6,12,15-pentaen-14-one
Also Known As: Caesalpin J, 7,10,11-trihydroxy-13-methoxy-7,8-dihydro-3h,6h-7,12b-methanodibenzo[b,d]oxocin-3-one, 4,5,9-trihydroxy-17-methoxy-11-oxatetracyclo[7.7.1.01,12.02,7]heptadeca-2,4,6,12,15-pentaen-14-one, 6H-7,12b-Methano-3H-dibenz(b,d)oxocin-3-one, 7,8-dihydro-7,10-11-trihydroxy-13-methoxy-, (7R-(talpha,12bbeta,13R*))-, 4,5,9-trihydroxy-17-methoxy-11-oxatetracyclo(7.7.1.01,12.02,7)heptadeca-2,4,6,12,15-pentaen-14-one
| Molecular Formula | C17H16O6 |
|---|---|
| Molecular Weight | 316.09 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.0947 |
| Heavy Atoms | 23 |
| Complexity | 598.0 |
Chemical Identifiers
| CAS Number | 6313-02-6 |
|---|---|
| SMILES | COC1C2(CC3=CC(=C(C=C3C14C=CC(=O)C=C4OC2)O)O)O |
| InChIKey | GUHDLXNWTKIBDJ-UHFFFAOYSA-N |
Product Overview
Caesalpin J (CAS 6313-02-6), with molecular formula C17H16O6 and molecular weight 316.09 g/mol. IUPAC: 4,5,9-trihydroxy-17-methoxy-11-oxatetracyclo[7.7.1.01,12.02,7]heptadeca-2,4,6,12,15-pentaen-14-one.
Chemical Property Profile of Caesalpin J
Property Insights of Caesalpin J
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Caesalpin J. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Caesalpin J. Following Lipinski's Rule of Five, Caesalpin J has 3 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 Caesalpin J?
The CAS number of Caesalpin J is 6313-02-6.
What is the molecular formula of Caesalpin J?
The molecular formula of Caesalpin J is C17H16O6.
What is the molecular weight of Caesalpin J?
The molecular weight of Caesalpin J is 316.09 g/mol.
Where can I buy Caesalpin J?
You can request a quote for Caesalpin J directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Caesalpin J?
Yes, KEHONG BIO provides custom synthesis services for Caesalpin J and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.