5-(Azepan-1-yl)-2-(4-bromophenyl)-4-(phenylsulfonyl)oxazole
TL;DR: 5-(Azepan-1-yl)-2-(4-bromophenyl)-4-(phenylsulfonyl)oxazole (CAS 620558-51-2) is a chemical compound with molecular formula C21H21BrN2O3S and molecular weight 460.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(azepan-1-yl)-4-(benzenesulfonyl)-2-(4-bromophenyl)-1,3-oxazole
Also Known As: AMS_CNC_ID-150063872, 5-(azepan-1-yl)-2-(4-bromophenyl)-4-(phenylsulfonyl)oxazole, 1-[4-(BENZENESULFONYL)-2-(4-BROMOPHENYL)-1,3-OXAZOL-5-YL]AZEPANE, 1[2(4bromophenyl)4(phenylsulfonyl)1,3oxazol5yl]azepane, F1460-0259
| Molecular Formula | C21H21BrN2O3S |
|---|---|
| Molecular Weight | 460.05 g/mol |
| LogP | 5.3173 |
| Topological Polar Surface Area | 63.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 460.04562 |
| Heavy Atoms | 28 |
| Complexity | 1039.0145 |
Chemical Identifiers
| CAS Number | 620558-51-2 |
|---|---|
| SMILES | C1CCCN(CC1)C2=C(N=C(O2)C3=CC=C(C=C3)Br)S(=O)(=O)C4=CC=CC=C4 |
Product Overview
5-(Azepan-1-yl)-2-(4-bromophenyl)-4-(phenylsulfonyl)oxazole (CAS 620558-51-2), with molecular formula C21H21BrN2O3S and molecular weight 460.05 g/mol. IUPAC: 5-(azepan-1-yl)-4-(benzenesulfonyl)-2-(4-bromophenyl)-1,3-oxazole.
Chemical Property Profile of 5-(Azepan-1-yl)-2-(4-bromophenyl)-4-(phenylsulfonyl)oxazole
Property Insights of 5-(Azepan-1-yl)-2-(4-bromophenyl)-4-(phenylsulfonyl)oxazole
The XLogP value of 5.3173 indicates that 5-(Azepan-1-yl)-2-(4-bromophenyl)-4-(phenylsulfonyl)oxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Azepan-1-yl)-2-(4-bromophenyl)-4-(phenylsulfonyl)oxazole. Following Lipinski's Rule of Five, 5-(Azepan-1-yl)-2-(4-bromophenyl)-4-(phenylsulfonyl)oxazole has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(Azepan-1-yl)-2-(4-bromophenyl)-4-(phenylsulfonyl)oxazole?
The CAS number of 5-(Azepan-1-yl)-2-(4-bromophenyl)-4-(phenylsulfonyl)oxazole is 620558-51-2.
What is the molecular formula of 5-(Azepan-1-yl)-2-(4-bromophenyl)-4-(phenylsulfonyl)oxazole?
The molecular formula of 5-(Azepan-1-yl)-2-(4-bromophenyl)-4-(phenylsulfonyl)oxazole is C21H21BrN2O3S.
What is the molecular weight of 5-(Azepan-1-yl)-2-(4-bromophenyl)-4-(phenylsulfonyl)oxazole?
The molecular weight of 5-(Azepan-1-yl)-2-(4-bromophenyl)-4-(phenylsulfonyl)oxazole is 460.05 g/mol.
Where can I buy 5-(Azepan-1-yl)-2-(4-bromophenyl)-4-(phenylsulfonyl)oxazole?
You can request a quote for 5-(Azepan-1-yl)-2-(4-bromophenyl)-4-(phenylsulfonyl)oxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Azepan-1-yl)-2-(4-bromophenyl)-4-(phenylsulfonyl)oxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(Azepan-1-yl)-2-(4-bromophenyl)-4-(phenylsulfonyl)oxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.