![1-[4-(Dimethylamino)but-2-ynyl]-1,3,3-trimethylurea structure](/static/products/4512/45121-36-6.webp)
1-[4-(Dimethylamino)but-2-ynyl]-1,3,3-trimethylurea
TL;DR: 1-[4-(Dimethylamino)but-2-ynyl]-1,3,3-trimethylurea (CAS 45121-36-6) is a chemical compound with molecular formula C10H19N3O and molecular weight 197.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(dimethylamino)but-2-ynyl]-1,3,3-trimethylurea
Also Known As: 1-(4-dimethylaminobut-2-ynyl)-1,3,3-trimethyl-urea, N-[4-Dimethylamino-2-butynyl]-N,N',N'-trimethylurea, 1-[4-(dimethylamino)but-2-ynyl]-1,3,3-trimethylurea, Urea, N-[4-(dimethylamino)-2-butyn-1-yl]-N,N',N'-trimethyl-, 1-[4-(dimethylamino)but-2-yn-1-yl]-1,3,3-trimethylurea
| Molecular Formula | C10H19N3O |
|---|---|
| Molecular Weight | 197.15 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 26.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.15282 |
| Heavy Atoms | 14 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 45121-36-6 |
|---|---|
| SMILES | CN(C)CC#CCN(C)C(=O)N(C)C |
| InChIKey | VKMQHLLOFGWNAS-UHFFFAOYSA-N |
Product Overview
1-[4-(Dimethylamino)but-2-ynyl]-1,3,3-trimethylurea (CAS 45121-36-6), with molecular formula C10H19N3O and molecular weight 197.15 g/mol. IUPAC: 1-[4-(dimethylamino)but-2-ynyl]-1,3,3-trimethylurea.
Chemical Property Profile of 1-[4-(Dimethylamino)but-2-ynyl]-1,3,3-trimethylurea
Property Insights of 1-[4-(Dimethylamino)but-2-ynyl]-1,3,3-trimethylurea
The XLogP value of -0.2 indicates that 1-[4-(Dimethylamino)but-2-ynyl]-1,3,3-trimethylurea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 26.8 Ų, 1-[4-(Dimethylamino)but-2-ynyl]-1,3,3-trimethylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[4-(Dimethylamino)but-2-ynyl]-1,3,3-trimethylurea has 0 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 1-[4-(Dimethylamino)but-2-ynyl]-1,3,3-trimethylurea?
The CAS number of 1-[4-(Dimethylamino)but-2-ynyl]-1,3,3-trimethylurea is 45121-36-6.
What is the molecular formula of 1-[4-(Dimethylamino)but-2-ynyl]-1,3,3-trimethylurea?
The molecular formula of 1-[4-(Dimethylamino)but-2-ynyl]-1,3,3-trimethylurea is C10H19N3O.
What is the molecular weight of 1-[4-(Dimethylamino)but-2-ynyl]-1,3,3-trimethylurea?
The molecular weight of 1-[4-(Dimethylamino)but-2-ynyl]-1,3,3-trimethylurea is 197.15 g/mol.
Where can I buy 1-[4-(Dimethylamino)but-2-ynyl]-1,3,3-trimethylurea?
You can request a quote for 1-[4-(Dimethylamino)but-2-ynyl]-1,3,3-trimethylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(Dimethylamino)but-2-ynyl]-1,3,3-trimethylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(Dimethylamino)but-2-ynyl]-1,3,3-trimethylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.