Urea, 1-propargylamidino-3-(2,6-xylyl)-, hydrochloride
TL;DR: Urea, 1-propargylamidino-3-(2,6-xylyl)-, hydrochloride (CAS 66871-58-7) is a chemical compound with molecular formula C13H17ClN4O and molecular weight 280.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,6-dimethylphenyl)-3-(N'-prop-2-ynylcarbamimidoyl)urea;hydrochloride
Also Known As: Urea, 1-propargylamidino-3-(2,6-xylyl)-, hydrochloride, Urea, N-(2,6-dimethylphenyl)-N'-(imino(2-propynylamino)methyl)-, monohydrochloride, N-(2,6-Dimethylphenyl)-N'-propargylamidino-urea hydrochloride, N-(2,6-Dimethylphenyl)-N'-(imino(2-propynylamino)methyl)urea hydrochloride, 1-(2,6-dimethylphenyl)-3-(N'-prop-2-ynylcarbamimidoyl)urea hydrochloride
| Molecular Formula | C13H17ClN4O |
|---|---|
| Molecular Weight | 280.11 g/mol |
| LogP | 1.79464 |
| Topological Polar Surface Area | 79.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.1091 |
| Heavy Atoms | 19 |
| Complexity | 499.61478 |
Chemical Identifiers
| CAS Number | 66871-58-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)NC(=NCC#C)N.Cl |
Product Overview
Urea, 1-propargylamidino-3-(2,6-xylyl)-, hydrochloride (CAS 66871-58-7), with molecular formula C13H17ClN4O and molecular weight 280.11 g/mol. IUPAC: 1-(2,6-dimethylphenyl)-3-(N'-prop-2-ynylcarbamimidoyl)urea;hydrochloride.
Chemical Property Profile of Urea, 1-propargylamidino-3-(2,6-xylyl)-, hydrochloride
Property Insights of Urea, 1-propargylamidino-3-(2,6-xylyl)-, hydrochloride
The XLogP value of 1.79464 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, 1-propargylamidino-3-(2,6-xylyl)-, hydrochloride. The TPSA of 79.51 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, 1-propargylamidino-3-(2,6-xylyl)-, hydrochloride. Following Lipinski's Rule of Five, Urea, 1-propargylamidino-3-(2,6-xylyl)-, hydrochloride has 3 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 Urea, 1-propargylamidino-3-(2,6-xylyl)-, hydrochloride?
The CAS number of Urea, 1-propargylamidino-3-(2,6-xylyl)-, hydrochloride is 66871-58-7.
What is the molecular formula of Urea, 1-propargylamidino-3-(2,6-xylyl)-, hydrochloride?
The molecular formula of Urea, 1-propargylamidino-3-(2,6-xylyl)-, hydrochloride is C13H17ClN4O.
What is the molecular weight of Urea, 1-propargylamidino-3-(2,6-xylyl)-, hydrochloride?
The molecular weight of Urea, 1-propargylamidino-3-(2,6-xylyl)-, hydrochloride is 280.11 g/mol.
Where can I buy Urea, 1-propargylamidino-3-(2,6-xylyl)-, hydrochloride?
You can request a quote for Urea, 1-propargylamidino-3-(2,6-xylyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, 1-propargylamidino-3-(2,6-xylyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Urea, 1-propargylamidino-3-(2,6-xylyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.