![1,1'-Pyridine-2,6-diylbis[3-(2-chloroethyl)urea] structure](/static/products/1399/13991-70-3.webp)
1,1'-Pyridine-2,6-diylbis[3-(2-chloroethyl)urea]
TL;DR: 1,1'-Pyridine-2,6-diylbis[3-(2-chloroethyl)urea] (CAS 13991-70-3) is a chemical compound with molecular formula C11H15Cl2N5O2 and molecular weight 319.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-[6-(2-chloroethylcarbamoylamino)-2-pyridinyl]urea
Also Known As: KST-1B0854, 1,1'-pyridine-2,6-diylbis[3-(2-chloroethyl)urea], N,N'-Pyridine-2,6-diylbis[N'-(2-chloroethyl)urea], 1-(2-chloroethyl)-3-[6-(2-chloroethylcarbamoylamino)pyridin-, Urea,N,N''-2,6-pyridinediylbis[N'-(2-chloroethyl)- (9CI)
| Molecular Formula | C11H15Cl2N5O2 |
|---|---|
| Molecular Weight | 319.06 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 319.06027 |
| Heavy Atoms | 20 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 13991-70-3 |
|---|---|
| SMILES | C1=CC(=NC(=C1)NC(=O)NCCCl)NC(=O)NCCCl |
| InChIKey | SOBSGSLEWKYVMG-UHFFFAOYSA-N |
Product Overview
1,1'-Pyridine-2,6-diylbis[3-(2-chloroethyl)urea] (CAS 13991-70-3), with molecular formula C11H15Cl2N5O2 and molecular weight 319.06 g/mol. IUPAC: 1-(2-chloroethyl)-3-[6-(2-chloroethylcarbamoylamino)-2-pyridinyl]urea.
Chemical Property Profile of 1,1'-Pyridine-2,6-diylbis[3-(2-chloroethyl)urea]
Property Insights of 1,1'-Pyridine-2,6-diylbis[3-(2-chloroethyl)urea]
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1'-Pyridine-2,6-diylbis[3-(2-chloroethyl)urea]. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-Pyridine-2,6-diylbis[3-(2-chloroethyl)urea]. Following Lipinski's Rule of Five, 1,1'-Pyridine-2,6-diylbis[3-(2-chloroethyl)urea] has 4 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 1,1'-Pyridine-2,6-diylbis[3-(2-chloroethyl)urea]?
The CAS number of 1,1'-Pyridine-2,6-diylbis[3-(2-chloroethyl)urea] is 13991-70-3.
What is the molecular formula of 1,1'-Pyridine-2,6-diylbis[3-(2-chloroethyl)urea]?
The molecular formula of 1,1'-Pyridine-2,6-diylbis[3-(2-chloroethyl)urea] is C11H15Cl2N5O2.
What is the molecular weight of 1,1'-Pyridine-2,6-diylbis[3-(2-chloroethyl)urea]?
The molecular weight of 1,1'-Pyridine-2,6-diylbis[3-(2-chloroethyl)urea] is 319.06 g/mol.
Where can I buy 1,1'-Pyridine-2,6-diylbis[3-(2-chloroethyl)urea]?
You can request a quote for 1,1'-Pyridine-2,6-diylbis[3-(2-chloroethyl)urea] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-Pyridine-2,6-diylbis[3-(2-chloroethyl)urea]?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Pyridine-2,6-diylbis[3-(2-chloroethyl)urea] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.