![7-Bromobenzo[de]thiochromen-3-yl acetate structure](/static/products/3173/31730-29-7.webp)
7-Bromobenzo[de]thiochromen-3-yl acetate
TL;DR: 7-Bromobenzo[de]thiochromen-3-yl acetate (CAS 31730-29-7) is a chemical compound with molecular formula C14H9BrO2S and molecular weight 319.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10-bromo-2-thiatricyclo[7.3.1.05,13]trideca-1(13),3,5,7,9,11-hexaen-4-yl) acetate
Also Known As: ChemDiv3_005779, 7-bromobenzo[de]thiochromen-3-yl acetate, IDI1_023689, 3-acetoxy-7-bromonaphtho[1,8-bc]thiopyran
| Molecular Formula | C14H9BrO2S |
|---|---|
| Molecular Weight | 319.95 g/mol |
| LogP | 4.5695 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 319.95065 |
| Heavy Atoms | 18 |
| Complexity | 691.4986 |
Chemical Identifiers
| CAS Number | 31730-29-7 |
|---|---|
| SMILES | CC(=O)OC1=CSC2=C3C1=CC=CC3=C(C=C2)Br |
Product Overview
7-Bromobenzo[de]thiochromen-3-yl acetate (CAS 31730-29-7), with molecular formula C14H9BrO2S and molecular weight 319.95 g/mol. IUPAC: (10-bromo-2-thiatricyclo[7.3.1.05,13]trideca-1(13),3,5,7,9,11-hexaen-4-yl) acetate.
Chemical Property Profile of 7-Bromobenzo[de]thiochromen-3-yl acetate
Property Insights of 7-Bromobenzo[de]thiochromen-3-yl acetate
The XLogP value of 4.5695 indicates that 7-Bromobenzo[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, 7-Bromobenzo[de]thiochromen-3-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Bromobenzo[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 7-Bromobenzo[de]thiochromen-3-yl acetate?
The CAS number of 7-Bromobenzo[de]thiochromen-3-yl acetate is 31730-29-7.
What is the molecular formula of 7-Bromobenzo[de]thiochromen-3-yl acetate?
The molecular formula of 7-Bromobenzo[de]thiochromen-3-yl acetate is C14H9BrO2S.
What is the molecular weight of 7-Bromobenzo[de]thiochromen-3-yl acetate?
The molecular weight of 7-Bromobenzo[de]thiochromen-3-yl acetate is 319.95 g/mol.
Where can I buy 7-Bromobenzo[de]thiochromen-3-yl acetate?
You can request a quote for 7-Bromobenzo[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 7-Bromobenzo[de]thiochromen-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 7-Bromobenzo[de]thiochromen-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.