1-(4-Bromophenyl)-3-(diaminomethylidene)urea
TL;DR: 1-(4-Bromophenyl)-3-(diaminomethylidene)urea (CAS 108485-14-9) is a chemical compound with molecular formula C8H9BrN4O and molecular weight 256.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-3-(diaminomethylidene)urea
Also Known As: NCIOpen2_002325, N-[amino(imino)methyl]-N'-(4-bromophenyl)urea, 1-(4-bromophenyl)-3-(diaminomethylidene)urea
| Molecular Formula | C8H9BrN4O |
|---|---|
| Molecular Weight | 256.00 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 255.99597 |
| Heavy Atoms | 14 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 108485-14-9 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)N=C(N)N)Br |
| InChIKey | QCBWECQVKQOOTN-UHFFFAOYSA-N |
Product Overview
1-(4-Bromophenyl)-3-(diaminomethylidene)urea (CAS 108485-14-9), with molecular formula C8H9BrN4O and molecular weight 256.00 g/mol. IUPAC: 1-(4-bromophenyl)-3-(diaminomethylidene)urea.
Chemical Property Profile of 1-(4-Bromophenyl)-3-(diaminomethylidene)urea
Property Insights of 1-(4-Bromophenyl)-3-(diaminomethylidene)urea
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Bromophenyl)-3-(diaminomethylidene)urea. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Bromophenyl)-3-(diaminomethylidene)urea. Following Lipinski's Rule of Five, 1-(4-Bromophenyl)-3-(diaminomethylidene)urea has 3 hydrogen bond donor(s) and 1 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-(4-Bromophenyl)-3-(diaminomethylidene)urea?
The CAS number of 1-(4-Bromophenyl)-3-(diaminomethylidene)urea is 108485-14-9.
What is the molecular formula of 1-(4-Bromophenyl)-3-(diaminomethylidene)urea?
The molecular formula of 1-(4-Bromophenyl)-3-(diaminomethylidene)urea is C8H9BrN4O.
What is the molecular weight of 1-(4-Bromophenyl)-3-(diaminomethylidene)urea?
The molecular weight of 1-(4-Bromophenyl)-3-(diaminomethylidene)urea is 256.00 g/mol.
Where can I buy 1-(4-Bromophenyl)-3-(diaminomethylidene)urea?
You can request a quote for 1-(4-Bromophenyl)-3-(diaminomethylidene)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Bromophenyl)-3-(diaminomethylidene)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromophenyl)-3-(diaminomethylidene)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.