1-(2,3-Xylyl)urea
TL;DR: 1-(2,3-Xylyl)urea (CAS 13114-75-5) is a chemical compound with molecular formula C9H12N2O and molecular weight 164.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3-dimethylphenyl)urea
Also Known As: (2,3-dimethylphenyl)urea, N-(2,3-dimethylphenyl)urea, 1-(2,3-dimethylphenyl)urea, 1-(2,3-Xylyl)urea, 1-(2,3-Dimethylphenyl)ure
| Molecular Formula | C9H12N2O |
|---|---|
| Molecular Weight | 164.09 g/mol |
| LogP | 1.79404 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.09496 |
| Heavy Atoms | 12 |
| Complexity | 307.39688 |
Chemical Identifiers
| CAS Number | 13114-75-5 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)NC(=O)N)C |
Product Overview
1-(2,3-Xylyl)urea (CAS 13114-75-5), with molecular formula C9H12N2O and molecular weight 164.09 g/mol. IUPAC: (2,3-dimethylphenyl)urea.
Chemical Property Profile of 1-(2,3-Xylyl)urea
Property Insights of 1-(2,3-Xylyl)urea
The XLogP value of 1.79404 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,3-Xylyl)urea. With a topological polar surface area (TPSA) of 55.12 Ų, 1-(2,3-Xylyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,3-Xylyl)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-(2,3-Xylyl)urea?
The CAS number of 1-(2,3-Xylyl)urea is 13114-75-5.
What is the molecular formula of 1-(2,3-Xylyl)urea?
The molecular formula of 1-(2,3-Xylyl)urea is C9H12N2O.
What is the molecular weight of 1-(2,3-Xylyl)urea?
The molecular weight of 1-(2,3-Xylyl)urea is 164.09 g/mol.
Where can I buy 1-(2,3-Xylyl)urea?
You can request a quote for 1-(2,3-Xylyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,3-Xylyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,3-Xylyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.