alpha-Chlorosantonin
TL;DR: alpha-Chlorosantonin (CAS 283-49-8) is a chemical compound with molecular formula C15H17ClO3 and molecular weight 280.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione
Also Known As: .alpha.-Chlorosantonin, alpha-Chlorosantonin, 7-chloro-3,5a,9-trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3h,4h)-dione, Eudesma-1, 2-chloro-6.alpha.-hydroxy-3-oxo-, .gamma.-lactone, (11S)-, 7-chloro-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione
| Molecular Formula | C15H17ClO3 |
|---|---|
| Molecular Weight | 280.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 280.0866 |
| Heavy Atoms | 19 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 283-49-8 |
|---|---|
| SMILES | CC1C2CCC3(C=C(C(=O)C(=C3C2OC1=O)C)Cl)C |
| InChIKey | UXASVZPBDIQODI-UHFFFAOYSA-N |
Product Overview
alpha-Chlorosantonin (CAS 283-49-8), with molecular formula C15H17ClO3 and molecular weight 280.09 g/mol. IUPAC: 7-chloro-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione.
Chemical Property Profile of alpha-Chlorosantonin
Property Insights of alpha-Chlorosantonin
The XLogP value of 3.1 indicates that alpha-Chlorosantonin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, alpha-Chlorosantonin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Chlorosantonin has 0 hydrogen bond donor(s) and 3 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 alpha-Chlorosantonin?
The CAS number of alpha-Chlorosantonin is 283-49-8.
What is the molecular formula of alpha-Chlorosantonin?
The molecular formula of alpha-Chlorosantonin is C15H17ClO3.
What is the molecular weight of alpha-Chlorosantonin?
The molecular weight of alpha-Chlorosantonin is 280.09 g/mol.
Where can I buy alpha-Chlorosantonin?
You can request a quote for alpha-Chlorosantonin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Chlorosantonin?
Yes, KEHONG BIO provides custom synthesis services for alpha-Chlorosantonin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.