1-Bromo-4-butoxybenzene
TL;DR: 1-Bromo-4-butoxybenzene (CAS 3997-38-4) is a chemical compound with molecular formula C28H30F3N3OS and molecular weight 513.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine
Also Known As: 1-Bromo-4-butoxybenzene, 10-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine, 10-{3-[4-(2-PHENOXYETHYL)PIPERAZIN-1-YL]PROPYL}-2-(TRIFLUOROMETHYL)-10H-PHENOTHIAZINE
| Molecular Formula | C28H30F3N3OS |
|---|---|
| Molecular Weight | 513.21 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 44.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 513.2062 |
| Heavy Atoms | 36 |
| Complexity | 669.0 |
Chemical Identifiers
| CAS Number | 3997-38-4 |
|---|---|
| SMILES | C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCOC5=CC=CC=C5 |
| InChIKey | ZIGRZIMIVVSPGU-UHFFFAOYSA-N |
Product Overview
1-Bromo-4-butoxybenzene (CAS 3997-38-4), with molecular formula C28H30F3N3OS and molecular weight 513.21 g/mol. IUPAC: 10-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine.
Chemical Property Profile of 1-Bromo-4-butoxybenzene
Property Insights of 1-Bromo-4-butoxybenzene
The XLogP value of 6.7 indicates that 1-Bromo-4-butoxybenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.3 Ų, 1-Bromo-4-butoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-4-butoxybenzene has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Bromo-4-butoxybenzene?
The CAS number of 1-Bromo-4-butoxybenzene is 3997-38-4.
What is the molecular formula of 1-Bromo-4-butoxybenzene?
The molecular formula of 1-Bromo-4-butoxybenzene is C28H30F3N3OS.
What is the molecular weight of 1-Bromo-4-butoxybenzene?
The molecular weight of 1-Bromo-4-butoxybenzene is 513.21 g/mol.
Where can I buy 1-Bromo-4-butoxybenzene?
You can request a quote for 1-Bromo-4-butoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-4-butoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-4-butoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.