4-(4-Bromophenyl)sulfanyl-3-methyl-1,2-oxazol-5-amine
TL;DR: 4-(4-Bromophenyl)sulfanyl-3-methyl-1,2-oxazol-5-amine (CAS 77036-97-6) is a chemical compound with molecular formula C10H9BrN2OS and molecular weight 283.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)sulfanyl-3-methyl-1,2-oxazol-5-amine
Also Known As: 4-(4-bromophenyl)sulfanyl-3-methyl-1,2-oxazol-5-amine, 5-ISOXAZOLAMINE,4-[(4-BROMOPHENYL)THIO]-3-METHYL-, 4-[(4-BROMOPHENYL)SULFANYL]-3-METHYL-1,2-OXAZOL-5-AMINE
| Molecular Formula | C10H9BrN2OS |
|---|---|
| Molecular Weight | 283.96 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.9619 |
| Heavy Atoms | 15 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 77036-97-6 |
|---|---|
| SMILES | CC1=NOC(=C1SC2=CC=C(C=C2)Br)N |
| InChIKey | HXPBQMKHTDMZKX-UHFFFAOYSA-N |
Product Overview
4-(4-Bromophenyl)sulfanyl-3-methyl-1,2-oxazol-5-amine (CAS 77036-97-6), with molecular formula C10H9BrN2OS and molecular weight 283.96 g/mol. IUPAC: 4-(4-bromophenyl)sulfanyl-3-methyl-1,2-oxazol-5-amine.
Chemical Property Profile of 4-(4-Bromophenyl)sulfanyl-3-methyl-1,2-oxazol-5-amine
Property Insights of 4-(4-Bromophenyl)sulfanyl-3-methyl-1,2-oxazol-5-amine
The XLogP value of 3.2 indicates that 4-(4-Bromophenyl)sulfanyl-3-methyl-1,2-oxazol-5-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Bromophenyl)sulfanyl-3-methyl-1,2-oxazol-5-amine. Following Lipinski's Rule of Five, 4-(4-Bromophenyl)sulfanyl-3-methyl-1,2-oxazol-5-amine has 1 hydrogen bond donor(s) and 4 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 4-(4-Bromophenyl)sulfanyl-3-methyl-1,2-oxazol-5-amine?
The CAS number of 4-(4-Bromophenyl)sulfanyl-3-methyl-1,2-oxazol-5-amine is 77036-97-6.
What is the molecular formula of 4-(4-Bromophenyl)sulfanyl-3-methyl-1,2-oxazol-5-amine?
The molecular formula of 4-(4-Bromophenyl)sulfanyl-3-methyl-1,2-oxazol-5-amine is C10H9BrN2OS.
What is the molecular weight of 4-(4-Bromophenyl)sulfanyl-3-methyl-1,2-oxazol-5-amine?
The molecular weight of 4-(4-Bromophenyl)sulfanyl-3-methyl-1,2-oxazol-5-amine is 283.96 g/mol.
Where can I buy 4-(4-Bromophenyl)sulfanyl-3-methyl-1,2-oxazol-5-amine?
You can request a quote for 4-(4-Bromophenyl)sulfanyl-3-methyl-1,2-oxazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Bromophenyl)sulfanyl-3-methyl-1,2-oxazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Bromophenyl)sulfanyl-3-methyl-1,2-oxazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.