3-(3-Chloro-4-methylphenyl)-1,1-bis(2-hydroxyethyl)urea
TL;DR: 3-(3-Chloro-4-methylphenyl)-1,1-bis(2-hydroxyethyl)urea (CAS 87919-36-6) is a chemical compound with molecular formula C12H17ClN2O3 and molecular weight 272.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chloro-4-methylphenyl)-1,1-bis(2-hydroxyethyl)urea
Also Known As: 3-(3-chloro-4-methylphenyl)-1,1-bis(2-hydroxyethyl)urea, 3-(3-chloro-4-methyl-phenyl)-1,1-bis(2-hydroxyethyl)urea, N'-(3-Chloro-4-methylphenyl)-N,N-bis(2-hydroxyethyl)urea
| Molecular Formula | C12H17ClN2O3 |
|---|---|
| Molecular Weight | 272.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 272.09277 |
| Heavy Atoms | 18 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 87919-36-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)N(CCO)CCO)Cl |
| InChIKey | HIRDOGVDFDFONT-UHFFFAOYSA-N |
Product Overview
3-(3-Chloro-4-methylphenyl)-1,1-bis(2-hydroxyethyl)urea (CAS 87919-36-6), with molecular formula C12H17ClN2O3 and molecular weight 272.09 g/mol. IUPAC: 3-(3-chloro-4-methylphenyl)-1,1-bis(2-hydroxyethyl)urea.
Chemical Property Profile of 3-(3-Chloro-4-methylphenyl)-1,1-bis(2-hydroxyethyl)urea
Property Insights of 3-(3-Chloro-4-methylphenyl)-1,1-bis(2-hydroxyethyl)urea
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Chloro-4-methylphenyl)-1,1-bis(2-hydroxyethyl)urea. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Chloro-4-methylphenyl)-1,1-bis(2-hydroxyethyl)urea. Following Lipinski's Rule of Five, 3-(3-Chloro-4-methylphenyl)-1,1-bis(2-hydroxyethyl)urea has 3 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 3-(3-Chloro-4-methylphenyl)-1,1-bis(2-hydroxyethyl)urea?
The CAS number of 3-(3-Chloro-4-methylphenyl)-1,1-bis(2-hydroxyethyl)urea is 87919-36-6.
What is the molecular formula of 3-(3-Chloro-4-methylphenyl)-1,1-bis(2-hydroxyethyl)urea?
The molecular formula of 3-(3-Chloro-4-methylphenyl)-1,1-bis(2-hydroxyethyl)urea is C12H17ClN2O3.
What is the molecular weight of 3-(3-Chloro-4-methylphenyl)-1,1-bis(2-hydroxyethyl)urea?
The molecular weight of 3-(3-Chloro-4-methylphenyl)-1,1-bis(2-hydroxyethyl)urea is 272.09 g/mol.
Where can I buy 3-(3-Chloro-4-methylphenyl)-1,1-bis(2-hydroxyethyl)urea?
You can request a quote for 3-(3-Chloro-4-methylphenyl)-1,1-bis(2-hydroxyethyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Chloro-4-methylphenyl)-1,1-bis(2-hydroxyethyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Chloro-4-methylphenyl)-1,1-bis(2-hydroxyethyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.