![Benzo[de]thiochromen-3-yl acetate structure](/static/products/3140/314033-12-0.webp)
Benzo[de]thiochromen-3-yl acetate
TL;DR: Benzo[de]thiochromen-3-yl acetate (CAS 314033-12-0) is a chemical compound with molecular formula C14H10O2S and molecular weight 242.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-thiatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaen-4-yl acetate
Also Known As: benzo[de]thiochromen-3-yl acetate, Acetic acid benzo[de]thiochromen-3-yl ester, AB01330746-02, AE-907/30536044, 2-thiatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaen-4-yl acetate
| Molecular Formula | C14H10O2S |
|---|---|
| Molecular Weight | 242.04 g/mol |
| LogP | 3.807 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.04015 |
| Heavy Atoms | 17 |
| Complexity | 638.4623 |
Chemical Identifiers
| CAS Number | 314033-12-0 |
|---|---|
| SMILES | CC(=O)OC1=CSC2=CC=CC3=C2C1=CC=C3 |
Product Overview
Benzo[de]thiochromen-3-yl acetate (CAS 314033-12-0), with molecular formula C14H10O2S and molecular weight 242.04 g/mol. IUPAC: 2-thiatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaen-4-yl acetate.
Chemical Property Profile of Benzo[de]thiochromen-3-yl acetate
Property Insights of Benzo[de]thiochromen-3-yl acetate
The XLogP value of 3.807 indicates that Benzo[de]thiochromen-3-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzo[de]thiochromen-3-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo[de]thiochromen-3-yl acetate 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 Benzo[de]thiochromen-3-yl acetate?
The CAS number of Benzo[de]thiochromen-3-yl acetate is 314033-12-0.
What is the molecular formula of Benzo[de]thiochromen-3-yl acetate?
The molecular formula of Benzo[de]thiochromen-3-yl acetate is C14H10O2S.
What is the molecular weight of Benzo[de]thiochromen-3-yl acetate?
The molecular weight of Benzo[de]thiochromen-3-yl acetate is 242.04 g/mol.
Where can I buy Benzo[de]thiochromen-3-yl acetate?
You can request a quote for Benzo[de]thiochromen-3-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo[de]thiochromen-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for Benzo[de]thiochromen-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.