![1-Tert-butyl-3-[(3-chlorophenyl)methyl]urea structure](/static/products/7147/71475-41-7.webp)
1-Tert-butyl-3-[(3-chlorophenyl)methyl]urea
TL;DR: 1-Tert-butyl-3-[(3-chlorophenyl)methyl]urea (CAS 71475-41-7) is a chemical compound with molecular formula C12H17ClN2O and molecular weight 240.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-3-[(3-chlorophenyl)methyl]urea
Also Known As: 1-tert-butyl-3-[(3-chlorophenyl)methyl]urea, N-(tert-butyl)-N'-(3-chlorobenzyl)urea, 3-tert-butyl-1-[(3-chlorophenyl)methyl]urea, N-tert-Butyl-N'-[(3-chlorophenyl)methyl]urea
| Molecular Formula | C12H17ClN2O |
|---|---|
| Molecular Weight | 240.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.10294 |
| Heavy Atoms | 16 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 71475-41-7 |
|---|---|
| SMILES | CC(C)(C)NC(=O)NCC1=CC(=CC=C1)Cl |
| InChIKey | DBBDLJBJSHSEAA-UHFFFAOYSA-N |
Product Overview
1-Tert-butyl-3-[(3-chlorophenyl)methyl]urea (CAS 71475-41-7), with molecular formula C12H17ClN2O and molecular weight 240.10 g/mol. IUPAC: 1-tert-butyl-3-[(3-chlorophenyl)methyl]urea.
Chemical Property Profile of 1-Tert-butyl-3-[(3-chlorophenyl)methyl]urea
Property Insights of 1-Tert-butyl-3-[(3-chlorophenyl)methyl]urea
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Tert-butyl-3-[(3-chlorophenyl)methyl]urea. With a topological polar surface area (TPSA) of 41.1 Ų, 1-Tert-butyl-3-[(3-chlorophenyl)methyl]urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Tert-butyl-3-[(3-chlorophenyl)methyl]urea has 2 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-Tert-butyl-3-[(3-chlorophenyl)methyl]urea?
The CAS number of 1-Tert-butyl-3-[(3-chlorophenyl)methyl]urea is 71475-41-7.
What is the molecular formula of 1-Tert-butyl-3-[(3-chlorophenyl)methyl]urea?
The molecular formula of 1-Tert-butyl-3-[(3-chlorophenyl)methyl]urea is C12H17ClN2O.
What is the molecular weight of 1-Tert-butyl-3-[(3-chlorophenyl)methyl]urea?
The molecular weight of 1-Tert-butyl-3-[(3-chlorophenyl)methyl]urea is 240.10 g/mol.
Where can I buy 1-Tert-butyl-3-[(3-chlorophenyl)methyl]urea?
You can request a quote for 1-Tert-butyl-3-[(3-chlorophenyl)methyl]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Tert-butyl-3-[(3-chlorophenyl)methyl]urea?
Yes, KEHONG BIO provides custom synthesis services for 1-Tert-butyl-3-[(3-chlorophenyl)methyl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.