Urea, 1-(4-(dimethylamino)-2-butynyl)-1,3,3-trimethyl-, oxalate (1:1)
TL;DR: Urea, 1-(4-(dimethylamino)-2-butynyl)-1,3,3-trimethyl-, oxalate (1:1) (CAS 3854-09-9) is a chemical compound with molecular formula C12H21N3O5 and molecular weight 287.15 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;oxalic acid
Also Known As: Urea, 1-(4-(dimethylamino)-2-butynyl)-1,3,3-trimethyl-, oxalate (1:1), Urea, (4-(dimethylamino)-2-butynyl)trimethyl-, ethanedioate (1:1), 1-(4-(Dimethylamino)-2-butynyl)-1,3,3-trimethylurea oxalate (1:1), N-(4-Dimethylaminobut-2-ynyl)-N,N',N'-trimethylurea hydrogen oxalate, 1-[4-(dimethylamino)but-2-ynyl]-1,3,3-trimethylurea,oxalic acid
| Molecular Formula | C12H21N3O5 |
|---|---|
| Molecular Weight | 287.15 g/mol |
| LogP | -0.6796 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.14813 |
| Heavy Atoms | 20 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 3854-09-9 |
|---|---|
| SMILES | CN(C)CC#CCN(C)C(=O)N(C)C.C(=O)(C(=O)O)O |
| InChIKey | USWFOAIENPEOFQ-UHFFFAOYSA-N |
Product Overview
Urea, 1-(4-(dimethylamino)-2-butynyl)-1,3,3-trimethyl-, oxalate (1:1) (CAS 3854-09-9), with molecular formula C12H21N3O5 and molecular weight 287.15 g/mol. IUPAC: 1-[4-(dimethylamino)but-2-ynyl]-1,3,3-trimethylurea;oxalic acid.
Chemical Property Profile of Urea, 1-(4-(dimethylamino)-2-butynyl)-1,3,3-trimethyl-, oxalate (1:1)
Property Insights of Urea, 1-(4-(dimethylamino)-2-butynyl)-1,3,3-trimethyl-, oxalate (1:1)
The XLogP value of -0.6796 indicates that Urea, 1-(4-(dimethylamino)-2-butynyl)-1,3,3-trimethyl-, oxalate (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, 1-(4-(dimethylamino)-2-butynyl)-1,3,3-trimethyl-, oxalate (1:1). Following Lipinski's Rule of Five, Urea, 1-(4-(dimethylamino)-2-butynyl)-1,3,3-trimethyl-, oxalate (1:1) has 2 hydrogen bond donor(s) and 6 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-(4-(dimethylamino)-2-butynyl)-1,3,3-trimethyl-, oxalate (1:1)?
The CAS number of Urea, 1-(4-(dimethylamino)-2-butynyl)-1,3,3-trimethyl-, oxalate (1:1) is 3854-09-9.
What is the molecular formula of Urea, 1-(4-(dimethylamino)-2-butynyl)-1,3,3-trimethyl-, oxalate (1:1)?
The molecular formula of Urea, 1-(4-(dimethylamino)-2-butynyl)-1,3,3-trimethyl-, oxalate (1:1) is C12H21N3O5.
What is the molecular weight of Urea, 1-(4-(dimethylamino)-2-butynyl)-1,3,3-trimethyl-, oxalate (1:1)?
The molecular weight of Urea, 1-(4-(dimethylamino)-2-butynyl)-1,3,3-trimethyl-, oxalate (1:1) is 287.15 g/mol.
Where can I buy Urea, 1-(4-(dimethylamino)-2-butynyl)-1,3,3-trimethyl-, oxalate (1:1)?
You can request a quote for Urea, 1-(4-(dimethylamino)-2-butynyl)-1,3,3-trimethyl-, oxalate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, 1-(4-(dimethylamino)-2-butynyl)-1,3,3-trimethyl-, oxalate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Urea, 1-(4-(dimethylamino)-2-butynyl)-1,3,3-trimethyl-, oxalate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.