3-(3-bromopropoxy)-2,4-dimethyl-2H-thiophen-5-one
TL;DR: 3-(3-bromopropoxy)-2,4-dimethyl-2H-thiophen-5-one (CAS 851592-28-4) is a chemical compound with molecular formula C9H13BrO2S and molecular weight 263.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-bromopropoxy)-2,4-dimethyl-2H-thiophen-5-one
Also Known As: 3-(3-bromopropoxy)-2,4-dimethyl-2H-thiophen-5-one, 4-(3-bromopropoxy)-3,5-dimethylthiophen-2(5H)-one, 2(5H)-Thiophenone, 4-(3-bromopropoxy)-3,5-dimethyl-
| Molecular Formula | C9H13BrO2S |
|---|---|
| Molecular Weight | 263.98 g/mol |
| LogP | 2.7239 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.98196 |
| Heavy Atoms | 13 |
| Complexity | 237.7692 |
Chemical Identifiers
| CAS Number | 851592-28-4 |
|---|---|
| SMILES | CC1C(=C(C(=O)S1)C)OCCCBr |
Product Overview
3-(3-bromopropoxy)-2,4-dimethyl-2H-thiophen-5-one (CAS 851592-28-4), with molecular formula C9H13BrO2S and molecular weight 263.98 g/mol. IUPAC: 3-(3-bromopropoxy)-2,4-dimethyl-2H-thiophen-5-one.
Chemical Property Profile of 3-(3-bromopropoxy)-2,4-dimethyl-2H-thiophen-5-one
Property Insights of 3-(3-bromopropoxy)-2,4-dimethyl-2H-thiophen-5-one
The XLogP value of 2.7239 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-bromopropoxy)-2,4-dimethyl-2H-thiophen-5-one. With a topological polar surface area (TPSA) of 26.3 Ų, 3-(3-bromopropoxy)-2,4-dimethyl-2H-thiophen-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-bromopropoxy)-2,4-dimethyl-2H-thiophen-5-one 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 3-(3-bromopropoxy)-2,4-dimethyl-2H-thiophen-5-one?
The CAS number of 3-(3-bromopropoxy)-2,4-dimethyl-2H-thiophen-5-one is 851592-28-4.
What is the molecular formula of 3-(3-bromopropoxy)-2,4-dimethyl-2H-thiophen-5-one?
The molecular formula of 3-(3-bromopropoxy)-2,4-dimethyl-2H-thiophen-5-one is C9H13BrO2S.
What is the molecular weight of 3-(3-bromopropoxy)-2,4-dimethyl-2H-thiophen-5-one?
The molecular weight of 3-(3-bromopropoxy)-2,4-dimethyl-2H-thiophen-5-one is 263.98 g/mol.
Where can I buy 3-(3-bromopropoxy)-2,4-dimethyl-2H-thiophen-5-one?
You can request a quote for 3-(3-bromopropoxy)-2,4-dimethyl-2H-thiophen-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-bromopropoxy)-2,4-dimethyl-2H-thiophen-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-bromopropoxy)-2,4-dimethyl-2H-thiophen-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.