N-tert-Butyl-N'-(5-chloro-2,4-dimethoxyphenyl)urea
TL;DR: N-tert-Butyl-N'-(5-chloro-2,4-dimethoxyphenyl)urea (CAS 501646-91-9) is a chemical compound with molecular formula C13H19ClN2O3 and molecular weight 286.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-3-(5-chloro-2,4-dimethoxyphenyl)urea
Also Known As: 1-tert-butyl-3-(5-chloro-2,4-dimethoxyphenyl)urea, N-tert-Butyl-N'-(5-chloro-2,4-dimethoxyphenyl)urea, N-(5-Chloro-2,4-dimethoxyphenyl)-N'-(1,1-dimethylethyl)urea, N-(5-Chloro-2,4-dimethoxyphenyl)-Na(2)-(1,1-dimethylethyl)urea
| Molecular Formula | C13H19ClN2O3 |
|---|---|
| Molecular Weight | 286.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.10843 |
| Heavy Atoms | 19 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 501646-91-9 |
|---|---|
| SMILES | CC(C)(C)NC(=O)NC1=CC(=C(C=C1OC)OC)Cl |
| InChIKey | RRPPFWYPPPYQOV-UHFFFAOYSA-N |
Product Overview
N-tert-Butyl-N'-(5-chloro-2,4-dimethoxyphenyl)urea (CAS 501646-91-9), with molecular formula C13H19ClN2O3 and molecular weight 286.11 g/mol. IUPAC: 1-tert-butyl-3-(5-chloro-2,4-dimethoxyphenyl)urea.
Chemical Property Profile of N-tert-Butyl-N'-(5-chloro-2,4-dimethoxyphenyl)urea
Property Insights of N-tert-Butyl-N'-(5-chloro-2,4-dimethoxyphenyl)urea
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-tert-Butyl-N'-(5-chloro-2,4-dimethoxyphenyl)urea. With a topological polar surface area (TPSA) of 59.6 Ų, N-tert-Butyl-N'-(5-chloro-2,4-dimethoxyphenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-tert-Butyl-N'-(5-chloro-2,4-dimethoxyphenyl)urea has 2 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 N-tert-Butyl-N'-(5-chloro-2,4-dimethoxyphenyl)urea?
The CAS number of N-tert-Butyl-N'-(5-chloro-2,4-dimethoxyphenyl)urea is 501646-91-9.
What is the molecular formula of N-tert-Butyl-N'-(5-chloro-2,4-dimethoxyphenyl)urea?
The molecular formula of N-tert-Butyl-N'-(5-chloro-2,4-dimethoxyphenyl)urea is C13H19ClN2O3.
What is the molecular weight of N-tert-Butyl-N'-(5-chloro-2,4-dimethoxyphenyl)urea?
The molecular weight of N-tert-Butyl-N'-(5-chloro-2,4-dimethoxyphenyl)urea is 286.11 g/mol.
Where can I buy N-tert-Butyl-N'-(5-chloro-2,4-dimethoxyphenyl)urea?
You can request a quote for N-tert-Butyl-N'-(5-chloro-2,4-dimethoxyphenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-tert-Butyl-N'-(5-chloro-2,4-dimethoxyphenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for N-tert-Butyl-N'-(5-chloro-2,4-dimethoxyphenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.