Whr 1049
TL;DR: Whr 1049 (CAS 55831-94-2) is a chemical compound with molecular formula C10H14N4O and molecular weight 206.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(diaminomethylidene)-3-(2,6-dimethylphenyl)urea
Also Known As: Whr 1049, N-(Aminoiminomethyl)-N'-(2,6-dimethylphenyl)urea, 1-(diaminomethylidene)-3-(2,6-dimethylphenyl)urea, 1-Amidino-3-(2,6-dimethylphenyl)urea, 3-carbamimidoyl-1-(2,6-dimethylphenyl)urea
| Molecular Formula | C10H14N4O |
|---|---|
| Molecular Weight | 206.12 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.11676 |
| Heavy Atoms | 15 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 55831-94-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)N=C(N)N |
| InChIKey | YCRAWIKTBRJACJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Whr 1049 (CAS 55831-94-2), with molecular formula C10H14N4O and molecular weight 206.12 g/mol. IUPAC: 1-(diaminomethylidene)-3-(2,6-dimethylphenyl)urea.
Chemical Property Profile of Whr 1049
Property Insights of Whr 1049
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Whr 1049. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Whr 1049. Following Lipinski's Rule of Five, Whr 1049 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 Whr 1049?
The CAS number of Whr 1049 is 55831-94-2.
What is the molecular formula of Whr 1049?
The molecular formula of Whr 1049 is C10H14N4O.
What is the molecular weight of Whr 1049?
The molecular weight of Whr 1049 is 206.12 g/mol.
Where can I buy Whr 1049?
You can request a quote for Whr 1049 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Whr 1049?
Yes, KEHONG BIO provides custom synthesis services for Whr 1049 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.