1-(3-Chloro-4-methylphenyl)-3-(1-hydroxybutan-2-yl)urea
TL;DR: 1-(3-Chloro-4-methylphenyl)-3-(1-hydroxybutan-2-yl)urea (CAS 87919-32-2) is a chemical compound with molecular formula C12H17ClN2O2 and molecular weight 256.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-4-methylphenyl)-3-(1-hydroxybutan-2-yl)urea
Also Known As: 1-(3-chloro-4-methylphenyl)-3-(1-hydroxybutan-2-yl)urea, 3-(3-chloro-4-methyl-phenyl)-1-(1-hydroxybutan-2-yl)urea, N-(3-Chloro-4-methylphenyl)-N'-(1-hydroxybutan-2-yl)carbamimidic acid
| Molecular Formula | C12H17ClN2O2 |
|---|---|
| Molecular Weight | 256.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.09787 |
| Heavy Atoms | 17 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 87919-32-2 |
|---|---|
| SMILES | CCC(CO)NC(=O)NC1=CC(=C(C=C1)C)Cl |
| InChIKey | BDGHWHXNVAXQLC-UHFFFAOYSA-N |
Product Overview
1-(3-Chloro-4-methylphenyl)-3-(1-hydroxybutan-2-yl)urea (CAS 87919-32-2), with molecular formula C12H17ClN2O2 and molecular weight 256.10 g/mol. IUPAC: 1-(3-chloro-4-methylphenyl)-3-(1-hydroxybutan-2-yl)urea.
Chemical Property Profile of 1-(3-Chloro-4-methylphenyl)-3-(1-hydroxybutan-2-yl)urea
Property Insights of 1-(3-Chloro-4-methylphenyl)-3-(1-hydroxybutan-2-yl)urea
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Chloro-4-methylphenyl)-3-(1-hydroxybutan-2-yl)urea. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Chloro-4-methylphenyl)-3-(1-hydroxybutan-2-yl)urea. Following Lipinski's Rule of Five, 1-(3-Chloro-4-methylphenyl)-3-(1-hydroxybutan-2-yl)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-Chloro-4-methylphenyl)-3-(1-hydroxybutan-2-yl)urea?
The CAS number of 1-(3-Chloro-4-methylphenyl)-3-(1-hydroxybutan-2-yl)urea is 87919-32-2.
What is the molecular formula of 1-(3-Chloro-4-methylphenyl)-3-(1-hydroxybutan-2-yl)urea?
The molecular formula of 1-(3-Chloro-4-methylphenyl)-3-(1-hydroxybutan-2-yl)urea is C12H17ClN2O2.
What is the molecular weight of 1-(3-Chloro-4-methylphenyl)-3-(1-hydroxybutan-2-yl)urea?
The molecular weight of 1-(3-Chloro-4-methylphenyl)-3-(1-hydroxybutan-2-yl)urea is 256.10 g/mol.
Where can I buy 1-(3-Chloro-4-methylphenyl)-3-(1-hydroxybutan-2-yl)urea?
You can request a quote for 1-(3-Chloro-4-methylphenyl)-3-(1-hydroxybutan-2-yl)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-Chloro-4-methylphenyl)-3-(1-hydroxybutan-2-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chloro-4-methylphenyl)-3-(1-hydroxybutan-2-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.