1,3-Bis(1-chlorobutan-2-yl)urea
TL;DR: 1,3-Bis(1-chlorobutan-2-yl)urea (CAS 13929-18-5) is a chemical compound with molecular formula C9H18Cl2N2O and molecular weight 240.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(1-chlorobutan-2-yl)urea
Also Known As: Medlure, Medlure [ISO], 1,3-bis(1-chlorobutan-2-yl)urea, KST-1B0393, Urea,N,N'-bis[1-(chloromethyl)propyl]-
| Molecular Formula | C9H18Cl2N2O |
|---|---|
| Molecular Weight | 240.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 240.07962 |
| Heavy Atoms | 14 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 13929-18-5 |
|---|---|
| SMILES | CCC(CCl)NC(=O)NC(CC)CCl |
| InChIKey | JURVYJWWEKLVPF-UHFFFAOYSA-N |
Product Overview
1,3-Bis(1-chlorobutan-2-yl)urea (CAS 13929-18-5), with molecular formula C9H18Cl2N2O and molecular weight 240.08 g/mol. IUPAC: 1,3-bis(1-chlorobutan-2-yl)urea.
Chemical Property Profile of 1,3-Bis(1-chlorobutan-2-yl)urea
Property Insights of 1,3-Bis(1-chlorobutan-2-yl)urea
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Bis(1-chlorobutan-2-yl)urea. With a topological polar surface area (TPSA) of 41.1 Ų, 1,3-Bis(1-chlorobutan-2-yl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Bis(1-chlorobutan-2-yl)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 1,3-Bis(1-chlorobutan-2-yl)urea?
The CAS number of 1,3-Bis(1-chlorobutan-2-yl)urea is 13929-18-5.
What is the molecular formula of 1,3-Bis(1-chlorobutan-2-yl)urea?
The molecular formula of 1,3-Bis(1-chlorobutan-2-yl)urea is C9H18Cl2N2O.
What is the molecular weight of 1,3-Bis(1-chlorobutan-2-yl)urea?
The molecular weight of 1,3-Bis(1-chlorobutan-2-yl)urea is 240.08 g/mol.
Where can I buy 1,3-Bis(1-chlorobutan-2-yl)urea?
You can request a quote for 1,3-Bis(1-chlorobutan-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-Bis(1-chlorobutan-2-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(1-chlorobutan-2-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.