Xestodecalactone B
TL;DR: Xestodecalactone B (CAS 474898-13-0) is a chemical compound with molecular formula C14H16O6 and molecular weight 280.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,6S)-6,9,11-trihydroxy-4-methyl-4,5,6,7-tetrahydro-1H-3-benzoxecine-2,8-dione
Also Known As: Xestodecalactone B, J1.846.127G, (4R,6S)-6,9,11-trihydroxy-4-methyl-2,4,5,6,7,8-hexahydro-1H-3-benzoxecine-2,8-dione, (4R,6S)-6,9,11-trihydroxy-4-methyl-4,5,6,7-tetrahydro-1H-3-benzoxecine-2,8-dione, (4R,6S)-4,12,14-trihydroxy-6-methyl-7-oxabicyclo[8.4.0]tetradeca-11,13,15-triene-2,8-dione
| Molecular Formula | C14H16O6 |
|---|---|
| Molecular Weight | 280.09 g/mol |
| LogP | 0.9094 |
| Topological Polar Surface Area | 104.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 280.0947 |
| Heavy Atoms | 20 |
| Complexity | 550.8403 |
Chemical Identifiers
| CAS Number | 474898-13-0 |
|---|---|
| SMILES | C[C@@H]1C[C@@H](CC(=O)C2=C(CC(=O)O1)C=C(C=C2O)O)O |
Product Overview
Xestodecalactone B (CAS 474898-13-0), with molecular formula C14H16O6 and molecular weight 280.09 g/mol. IUPAC: (4R,6S)-6,9,11-trihydroxy-4-methyl-4,5,6,7-tetrahydro-1H-3-benzoxecine-2,8-dione.
Chemical Property Profile of Xestodecalactone B
Property Insights of Xestodecalactone B
The XLogP value of 0.9094 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Xestodecalactone B. The TPSA of 104.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Xestodecalactone B. Following Lipinski's Rule of Five, Xestodecalactone B 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 Xestodecalactone B?
The CAS number of Xestodecalactone B is 474898-13-0.
What is the molecular formula of Xestodecalactone B?
The molecular formula of Xestodecalactone B is C14H16O6.
What is the molecular weight of Xestodecalactone B?
The molecular weight of Xestodecalactone B is 280.09 g/mol.
Where can I buy Xestodecalactone B?
You can request a quote for Xestodecalactone B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xestodecalactone B?
Yes, KEHONG BIO provides custom synthesis services for Xestodecalactone B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.