Urea, trimethyl(4-(1-pyrrolidinyl)-2-butynyl)-, ethanedioate (1:1)
TL;DR: Urea, trimethyl(4-(1-pyrrolidinyl)-2-butynyl)-, ethanedioate (1:1) (CAS 3854-08-8) is a chemical compound with molecular formula C14H23N3O5 and molecular weight 313.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxalic acid;1,1,3-trimethyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)urea
Also Known As: Urea, trimethyl(4-(1-pyrrolidinyl)-2-butynyl)-, ethanedioate (1:1), Trimethyl(4-(1-pyrrolidinyl)-2-butynyl)urea ethanedioate (1:1), 1,1,3-Trimethyl-3-(4-(1-pyrrolidin-yl)-2-butynyl)urea oxalate (1:1), oxalic acid; 1,1,3-trimethyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)urea, Oxalic acid--N,N,N'-trimethyl-N'-[4-(pyrrolidin-1-yl)but-2-yn-1-yl]urea (1/1)
| Molecular Formula | C14H23N3O5 |
|---|---|
| Molecular Weight | 313.16 g/mol |
| LogP | -0.1454 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.16376 |
| Heavy Atoms | 22 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 3854-08-8 |
|---|---|
| SMILES | CN(C)C(=O)N(C)CC#CCN1CCCC1.C(=O)(C(=O)O)O |
| InChIKey | IQXGMYAEIXTCQO-UHFFFAOYSA-N |
Product Overview
Urea, trimethyl(4-(1-pyrrolidinyl)-2-butynyl)-, ethanedioate (1:1) (CAS 3854-08-8), with molecular formula C14H23N3O5 and molecular weight 313.16 g/mol. IUPAC: oxalic acid;1,1,3-trimethyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)urea.
Chemical Property Profile of Urea, trimethyl(4-(1-pyrrolidinyl)-2-butynyl)-, ethanedioate (1:1)
Property Insights of Urea, trimethyl(4-(1-pyrrolidinyl)-2-butynyl)-, ethanedioate (1:1)
The XLogP value of -0.1454 indicates that Urea, trimethyl(4-(1-pyrrolidinyl)-2-butynyl)-, ethanedioate (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, trimethyl(4-(1-pyrrolidinyl)-2-butynyl)-, ethanedioate (1:1). Following Lipinski's Rule of Five, Urea, trimethyl(4-(1-pyrrolidinyl)-2-butynyl)-, ethanedioate (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, trimethyl(4-(1-pyrrolidinyl)-2-butynyl)-, ethanedioate (1:1)?
The CAS number of Urea, trimethyl(4-(1-pyrrolidinyl)-2-butynyl)-, ethanedioate (1:1) is 3854-08-8.
What is the molecular formula of Urea, trimethyl(4-(1-pyrrolidinyl)-2-butynyl)-, ethanedioate (1:1)?
The molecular formula of Urea, trimethyl(4-(1-pyrrolidinyl)-2-butynyl)-, ethanedioate (1:1) is C14H23N3O5.
What is the molecular weight of Urea, trimethyl(4-(1-pyrrolidinyl)-2-butynyl)-, ethanedioate (1:1)?
The molecular weight of Urea, trimethyl(4-(1-pyrrolidinyl)-2-butynyl)-, ethanedioate (1:1) is 313.16 g/mol.
Where can I buy Urea, trimethyl(4-(1-pyrrolidinyl)-2-butynyl)-, ethanedioate (1:1)?
You can request a quote for Urea, trimethyl(4-(1-pyrrolidinyl)-2-butynyl)-, ethanedioate (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, trimethyl(4-(1-pyrrolidinyl)-2-butynyl)-, ethanedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Urea, trimethyl(4-(1-pyrrolidinyl)-2-butynyl)-, ethanedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.