Xestodecalactone A
TL;DR: Xestodecalactone A (CAS 474898-59-4) is a chemical compound with molecular formula C14H16O5 and molecular weight 264.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R)-9,11-dihydroxy-4-methyl-4,5,6,7-tetrahydro-1H-3-benzoxecine-2,8-dione
Also Known As: Xestodecalactone A, (R)-Xestodecalactone A, (+)-Xestodecalactone A, J2.027.937K, (4R)-9,11-dihydroxy-4-methyl-4,5,6,7-tetrahydro-1H-3-benzoxecine-2,8-dione
| Molecular Formula | C14H16O5 |
|---|---|
| Molecular Weight | 264.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 264.09976 |
| Heavy Atoms | 19 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 474898-59-4 |
|---|---|
| SMILES | C[C@@H]1CCCC(=O)C2=C(CC(=O)O1)C=C(C=C2O)O |
| InChIKey | AQNZLWYQYFPMBX-MRVPVSSYSA-N |
Product Overview
Xestodecalactone A (CAS 474898-59-4), with molecular formula C14H16O5 and molecular weight 264.10 g/mol. IUPAC: (4R)-9,11-dihydroxy-4-methyl-4,5,6,7-tetrahydro-1H-3-benzoxecine-2,8-dione.
Chemical Property Profile of Xestodecalactone A
Property Insights of Xestodecalactone A
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Xestodecalactone A. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Xestodecalactone A. Following Lipinski's Rule of Five, Xestodecalactone A has 2 hydrogen bond donor(s) and 5 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 A?
The CAS number of Xestodecalactone A is 474898-59-4.
What is the molecular formula of Xestodecalactone A?
The molecular formula of Xestodecalactone A is C14H16O5.
What is the molecular weight of Xestodecalactone A?
The molecular weight of Xestodecalactone A is 264.10 g/mol.
Where can I buy Xestodecalactone A?
You can request a quote for Xestodecalactone A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xestodecalactone A?
Yes, KEHONG BIO provides custom synthesis services for Xestodecalactone A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.