1-(3,5-Dibromo-2-hydroxybenzyl)urea
TL;DR: 1-(3,5-Dibromo-2-hydroxybenzyl)urea (CAS 80874-69-7) is a chemical compound with molecular formula C8H8Br2N2O2 and molecular weight 321.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dibromo-2-hydroxyphenyl)methylurea
Also Known As: 1-(3,5-dibromo-2-hydroxybenzyl)urea, KST-1B8715, (3,5-dibromo-2-hydroxyphenyl)methylurea, N-[(3,5-Dibromo-2-hydroxyphenyl)methyl]urea
| Molecular Formula | C8H8Br2N2O2 |
|---|---|
| Molecular Weight | 321.90 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.89526 |
| Heavy Atoms | 14 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 80874-69-7 |
|---|---|
| SMILES | C1=C(C=C(C(=C1CNC(=O)N)O)Br)Br |
| InChIKey | BOAZRFJRXMQOES-UHFFFAOYSA-N |
Product Overview
1-(3,5-Dibromo-2-hydroxybenzyl)urea (CAS 80874-69-7), with molecular formula C8H8Br2N2O2 and molecular weight 321.90 g/mol. IUPAC: (3,5-dibromo-2-hydroxyphenyl)methylurea.
Chemical Property Profile of 1-(3,5-Dibromo-2-hydroxybenzyl)urea
Property Insights of 1-(3,5-Dibromo-2-hydroxybenzyl)urea
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,5-Dibromo-2-hydroxybenzyl)urea. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,5-Dibromo-2-hydroxybenzyl)urea. Following Lipinski's Rule of Five, 1-(3,5-Dibromo-2-hydroxybenzyl)urea has 3 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 1-(3,5-Dibromo-2-hydroxybenzyl)urea?
The CAS number of 1-(3,5-Dibromo-2-hydroxybenzyl)urea is 80874-69-7.
What is the molecular formula of 1-(3,5-Dibromo-2-hydroxybenzyl)urea?
The molecular formula of 1-(3,5-Dibromo-2-hydroxybenzyl)urea is C8H8Br2N2O2.
What is the molecular weight of 1-(3,5-Dibromo-2-hydroxybenzyl)urea?
The molecular weight of 1-(3,5-Dibromo-2-hydroxybenzyl)urea is 321.90 g/mol.
Where can I buy 1-(3,5-Dibromo-2-hydroxybenzyl)urea?
You can request a quote for 1-(3,5-Dibromo-2-hydroxybenzyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,5-Dibromo-2-hydroxybenzyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,5-Dibromo-2-hydroxybenzyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.