3-(1,3-Benzoxazol-2-yl)-4,6-dibromo-2-methylaniline
TL;DR: 3-(1,3-Benzoxazol-2-yl)-4,6-dibromo-2-methylaniline (CAS 638159-11-2) is a chemical compound with molecular formula C14H10Br2N2O and molecular weight 379.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzoxazol-2-yl)-4,6-dibromo-2-methylaniline
Also Known As: AKOS BB-8536, BB 0245640, 3-benzooxazol-2-yl-4,6-dibromo-2-methyl-aniline, 3-(1,3-benzoxazol-2-yl)-4,6-dibromo-2-methylaniline, 3-Benzooxazol-2-yl-4,6-dibromo-2-methyl-ph enylamine
| Molecular Formula | C14H10Br2N2O |
|---|---|
| Molecular Weight | 379.92 g/mol |
| LogP | 4.91042 |
| Topological Polar Surface Area | 52.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 379.916 |
| Heavy Atoms | 19 |
| Complexity | 747.45715 |
Chemical Identifiers
| CAS Number | 638159-11-2 |
|---|---|
| SMILES | CC1=C(C(=CC(=C1N)Br)Br)C2=NC3=CC=CC=C3O2 |
Product Overview
3-(1,3-Benzoxazol-2-yl)-4,6-dibromo-2-methylaniline (CAS 638159-11-2), with molecular formula C14H10Br2N2O and molecular weight 379.92 g/mol. IUPAC: 3-(1,3-benzoxazol-2-yl)-4,6-dibromo-2-methylaniline.
Chemical Property Profile of 3-(1,3-Benzoxazol-2-yl)-4,6-dibromo-2-methylaniline
Property Insights of 3-(1,3-Benzoxazol-2-yl)-4,6-dibromo-2-methylaniline
The XLogP value of 4.91042 indicates that 3-(1,3-Benzoxazol-2-yl)-4,6-dibromo-2-methylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.05 Ų, 3-(1,3-Benzoxazol-2-yl)-4,6-dibromo-2-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-Benzoxazol-2-yl)-4,6-dibromo-2-methylaniline has 1 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-(1,3-Benzoxazol-2-yl)-4,6-dibromo-2-methylaniline?
The CAS number of 3-(1,3-Benzoxazol-2-yl)-4,6-dibromo-2-methylaniline is 638159-11-2.
What is the molecular formula of 3-(1,3-Benzoxazol-2-yl)-4,6-dibromo-2-methylaniline?
The molecular formula of 3-(1,3-Benzoxazol-2-yl)-4,6-dibromo-2-methylaniline is C14H10Br2N2O.
What is the molecular weight of 3-(1,3-Benzoxazol-2-yl)-4,6-dibromo-2-methylaniline?
The molecular weight of 3-(1,3-Benzoxazol-2-yl)-4,6-dibromo-2-methylaniline is 379.92 g/mol.
Where can I buy 3-(1,3-Benzoxazol-2-yl)-4,6-dibromo-2-methylaniline?
You can request a quote for 3-(1,3-Benzoxazol-2-yl)-4,6-dibromo-2-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-Benzoxazol-2-yl)-4,6-dibromo-2-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Benzoxazol-2-yl)-4,6-dibromo-2-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.