N-(2-Chloroethyl)-N'-(3-methyl-2-pyridinyl)urea
TL;DR: N-(2-Chloroethyl)-N'-(3-methyl-2-pyridinyl)urea (CAS 93701-49-6) is a chemical compound with molecular formula C9H12ClN3O and molecular weight 213.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-(3-methyl-2-pyridinyl)urea
Also Known As: KST-1B9405, 1-(2-chloroethyl)-3-(3-methylpyridin-2-yl)urea, N-(2-Chloroethyl)-N'-(3-methyl-2-pyridinyl)urea, Methyl 3, A,7
| Molecular Formula | C9H12ClN3O |
|---|---|
| Molecular Weight | 213.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.0669 |
| Heavy Atoms | 14 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 93701-49-6 |
|---|---|
| SMILES | CC1=C(N=CC=C1)NC(=O)NCCCl |
| InChIKey | GYGXUNVHOTUGFF-UHFFFAOYSA-N |
Product Overview
N-(2-Chloroethyl)-N'-(3-methyl-2-pyridinyl)urea (CAS 93701-49-6), with molecular formula C9H12ClN3O and molecular weight 213.07 g/mol. IUPAC: 1-(2-chloroethyl)-3-(3-methyl-2-pyridinyl)urea.
Chemical Property Profile of N-(2-Chloroethyl)-N'-(3-methyl-2-pyridinyl)urea
Property Insights of N-(2-Chloroethyl)-N'-(3-methyl-2-pyridinyl)urea
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Chloroethyl)-N'-(3-methyl-2-pyridinyl)urea. With a topological polar surface area (TPSA) of 54.0 Ų, N-(2-Chloroethyl)-N'-(3-methyl-2-pyridinyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-Chloroethyl)-N'-(3-methyl-2-pyridinyl)urea has 2 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 N-(2-Chloroethyl)-N'-(3-methyl-2-pyridinyl)urea?
The CAS number of N-(2-Chloroethyl)-N'-(3-methyl-2-pyridinyl)urea is 93701-49-6.
What is the molecular formula of N-(2-Chloroethyl)-N'-(3-methyl-2-pyridinyl)urea?
The molecular formula of N-(2-Chloroethyl)-N'-(3-methyl-2-pyridinyl)urea is C9H12ClN3O.
What is the molecular weight of N-(2-Chloroethyl)-N'-(3-methyl-2-pyridinyl)urea?
The molecular weight of N-(2-Chloroethyl)-N'-(3-methyl-2-pyridinyl)urea is 213.07 g/mol.
Where can I buy N-(2-Chloroethyl)-N'-(3-methyl-2-pyridinyl)urea?
You can request a quote for N-(2-Chloroethyl)-N'-(3-methyl-2-pyridinyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Chloroethyl)-N'-(3-methyl-2-pyridinyl)urea?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Chloroethyl)-N'-(3-methyl-2-pyridinyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.