3-Butyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-2,4(1H,3H)-quinazolinedione oxalate
TL;DR: 3-Butyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-2,4(1H,3H)-quinazolinedione oxalate (CAS 23905-28-4) is a chemical compound with molecular formula C22H27N3O6 and molecular weight 429.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-1-(4-pyrrolidin-1-ylbut-2-ynyl)quinazoline-2,4-dione;oxalic acid
Also Known As: 3-Butyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-2,4(1H,3H)-quinazolinedione oxalate, 2,4(1H,3H)-Quinazolinedione, 3-butyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-, oxalate (1:1), 3-Butyl-1-(4-(pyrrolidin-1-yl)but-2-yn-1-yl)quinazoline-2,4(1H,3H)-dione oxalate, 3-butyl-1-[4-(pyrrolidin-1-yl)but-2-yn-1-yl]quinazoline-2,4(1h,3h)-dione ethanedioate(1:1), 3-butyl-1-(4-pyrrolidin-1-ylbut-2-ynyl)quinazoline-2,4-dione,oxalic acid
| Molecular Formula | C22H27N3O6 |
|---|---|
| Molecular Weight | 429.19 g/mol |
| LogP | 1.2181 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.18997 |
| Heavy Atoms | 31 |
| Complexity | 627.0 |
Chemical Identifiers
| CAS Number | 23905-28-4 |
|---|---|
| SMILES | CCCCN1C(=O)C2=CC=CC=C2N(C1=O)CC#CCN3CCCC3.C(=O)(C(=O)O)O |
| InChIKey | MEEVSMWTMNABRS-UHFFFAOYSA-N |
Product Overview
3-Butyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-2,4(1H,3H)-quinazolinedione oxalate (CAS 23905-28-4), with molecular formula C22H27N3O6 and molecular weight 429.19 g/mol. IUPAC: 3-butyl-1-(4-pyrrolidin-1-ylbut-2-ynyl)quinazoline-2,4-dione;oxalic acid.
Chemical Property Profile of 3-Butyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-2,4(1H,3H)-quinazolinedione oxalate
Property Insights of 3-Butyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-2,4(1H,3H)-quinazolinedione oxalate
The XLogP value of 1.2181 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-2,4(1H,3H)-quinazolinedione oxalate. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Butyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-2,4(1H,3H)-quinazolinedione oxalate. Following Lipinski's Rule of Five, 3-Butyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-2,4(1H,3H)-quinazolinedione oxalate has 2 hydrogen bond donor(s) and 7 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 3-Butyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-2,4(1H,3H)-quinazolinedione oxalate?
The CAS number of 3-Butyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-2,4(1H,3H)-quinazolinedione oxalate is 23905-28-4.
What is the molecular formula of 3-Butyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-2,4(1H,3H)-quinazolinedione oxalate?
The molecular formula of 3-Butyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-2,4(1H,3H)-quinazolinedione oxalate is C22H27N3O6.
What is the molecular weight of 3-Butyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-2,4(1H,3H)-quinazolinedione oxalate?
The molecular weight of 3-Butyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-2,4(1H,3H)-quinazolinedione oxalate is 429.19 g/mol.
Where can I buy 3-Butyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-2,4(1H,3H)-quinazolinedione oxalate?
You can request a quote for 3-Butyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-2,4(1H,3H)-quinazolinedione oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-2,4(1H,3H)-quinazolinedione oxalate?
Yes, KEHONG BIO provides custom synthesis services for 3-Butyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-2,4(1H,3H)-quinazolinedione oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.