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4-Bromo-6-chlorobenzo[d]oxazol-2(3H)-one
TL;DR: 4-Bromo-6-chlorobenzo[d]oxazol-2(3H)-one (CAS 313503-21-8) is a chemical compound with molecular formula C7H3BrClNO2 and molecular weight 246.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-6-chloro-3H-1,3-benzoxazol-2-one
Also Known As: 4-Bromo-6-chloro-2-benzoxazolinone, 4-Bromo-6-chlorobenzo[d]oxazol-2(3H)-one, 4-bromo-6-chloro-3H-1,3-benzoxazol-2-one, 4-bromo-6-chloro-3-hydrobenzoxazol-2-one, 4-bromo-6-chloro-2,3-dihydro-1,3-benzoxazol-2-one
| Molecular Formula | C7H3BrClNO2 |
|---|---|
| Molecular Weight | 246.90 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 246.90356 |
| Heavy Atoms | 12 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 313503-21-8 |
|---|---|
| SMILES | C1=C(C=C(C2=C1OC(=O)N2)Br)Cl |
| InChIKey | JCRSLBLJBHXTND-UHFFFAOYSA-N |
Product Overview
4-Bromo-6-chlorobenzo[d]oxazol-2(3H)-one (CAS 313503-21-8), with molecular formula C7H3BrClNO2 and molecular weight 246.90 g/mol. IUPAC: 4-bromo-6-chloro-3H-1,3-benzoxazol-2-one.
Chemical Property Profile of 4-Bromo-6-chlorobenzo[d]oxazol-2(3H)-one
Property Insights of 4-Bromo-6-chlorobenzo[d]oxazol-2(3H)-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-6-chlorobenzo[d]oxazol-2(3H)-one. With a topological polar surface area (TPSA) of 38.3 Ų, 4-Bromo-6-chlorobenzo[d]oxazol-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-6-chlorobenzo[d]oxazol-2(3H)-one has 1 hydrogen bond donor(s) and 2 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-Bromo-6-chlorobenzo[d]oxazol-2(3H)-one?
The CAS number of 4-Bromo-6-chlorobenzo[d]oxazol-2(3H)-one is 313503-21-8.
What is the molecular formula of 4-Bromo-6-chlorobenzo[d]oxazol-2(3H)-one?
The molecular formula of 4-Bromo-6-chlorobenzo[d]oxazol-2(3H)-one is C7H3BrClNO2.
What is the molecular weight of 4-Bromo-6-chlorobenzo[d]oxazol-2(3H)-one?
The molecular weight of 4-Bromo-6-chlorobenzo[d]oxazol-2(3H)-one is 246.90 g/mol.
Where can I buy 4-Bromo-6-chlorobenzo[d]oxazol-2(3H)-one?
You can request a quote for 4-Bromo-6-chlorobenzo[d]oxazol-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-6-chlorobenzo[d]oxazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-6-chlorobenzo[d]oxazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.