(6-chloro-2-oxo-3H-1,3-benzoxazol-5-yl)urea
TL;DR: (6-chloro-2-oxo-3H-1,3-benzoxazol-5-yl)urea (CAS 81117-84-2) is a chemical compound with molecular formula C8H6ClN3O3 and molecular weight 227.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-chloro-2-oxo-3H-1,3-benzoxazol-5-yl)urea
Also Known As: (6-chloro-2-oxo-3H-1,3-benzoxazol-5-yl)urea, N-(6-Chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)urea
| Molecular Formula | C8H6ClN3O3 |
|---|---|
| Molecular Weight | 227.01 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.00977 |
| Heavy Atoms | 15 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 81117-84-2 |
|---|---|
| SMILES | C1=C2C(=CC(=C1NC(=O)N)Cl)OC(=O)N2 |
| InChIKey | JWLSFSAGPWVDKJ-UHFFFAOYSA-N |
Product Overview
(6-chloro-2-oxo-3H-1,3-benzoxazol-5-yl)urea (CAS 81117-84-2), with molecular formula C8H6ClN3O3 and molecular weight 227.01 g/mol. IUPAC: (6-chloro-2-oxo-3H-1,3-benzoxazol-5-yl)urea.
Chemical Property Profile of (6-chloro-2-oxo-3H-1,3-benzoxazol-5-yl)urea
Property Insights of (6-chloro-2-oxo-3H-1,3-benzoxazol-5-yl)urea
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-chloro-2-oxo-3H-1,3-benzoxazol-5-yl)urea. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (6-chloro-2-oxo-3H-1,3-benzoxazol-5-yl)urea. Following Lipinski's Rule of Five, (6-chloro-2-oxo-3H-1,3-benzoxazol-5-yl)urea has 3 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 (6-chloro-2-oxo-3H-1,3-benzoxazol-5-yl)urea?
The CAS number of (6-chloro-2-oxo-3H-1,3-benzoxazol-5-yl)urea is 81117-84-2.
What is the molecular formula of (6-chloro-2-oxo-3H-1,3-benzoxazol-5-yl)urea?
The molecular formula of (6-chloro-2-oxo-3H-1,3-benzoxazol-5-yl)urea is C8H6ClN3O3.
What is the molecular weight of (6-chloro-2-oxo-3H-1,3-benzoxazol-5-yl)urea?
The molecular weight of (6-chloro-2-oxo-3H-1,3-benzoxazol-5-yl)urea is 227.01 g/mol.
Where can I buy (6-chloro-2-oxo-3H-1,3-benzoxazol-5-yl)urea?
You can request a quote for (6-chloro-2-oxo-3H-1,3-benzoxazol-5-yl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-chloro-2-oxo-3H-1,3-benzoxazol-5-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for (6-chloro-2-oxo-3H-1,3-benzoxazol-5-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.