4(3H)-Quinazolinone, 2-butyl-3-(4-(1-pyrrolidinyl)-2-butynyl)-, oxalate (1:1)
TL;DR: 4(3H)-Quinazolinone, 2-butyl-3-(4-(1-pyrrolidinyl)-2-butynyl)-, oxalate (1:1) (CAS 23905-33-1) is a chemical compound with molecular formula C22H27N3O5 and molecular weight 413.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)quinazolin-4-one;oxalic acid
Also Known As: 2-Butyl-3-(4-(1-pyrrolidinyl)-2-butynyl)-4(3H)-quinazolinone oxalate, 4(3H)-Quinazolinone, 2-butyl-3-(4-(1-pyrrolidinyl)-2-butynyl)-, oxalate (1:1), 2-butyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)quinazolin-4-one; oxalic acid, Oxalic acid--2-butyl-3-[4-(pyrrolidin-1-yl)but-2-yn-1-yl]quinazolin-4(3H)-one (1/1), RefChem:283845
| Molecular Formula | C22H27N3O5 |
|---|---|
| Molecular Weight | 413.20 g/mol |
| LogP | 1.99 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.19507 |
| Heavy Atoms | 30 |
| Complexity | 607.0 |
Chemical Identifiers
| CAS Number | 23905-33-1 |
|---|---|
| SMILES | CCCCC1=NC2=CC=CC=C2C(=O)N1CC#CCN3CCCC3.C(=O)(C(=O)O)O |
| InChIKey | PMKBVHQATGUCEQ-UHFFFAOYSA-N |
Product Overview
4(3H)-Quinazolinone, 2-butyl-3-(4-(1-pyrrolidinyl)-2-butynyl)-, oxalate (1:1) (CAS 23905-33-1), with molecular formula C22H27N3O5 and molecular weight 413.20 g/mol. IUPAC: 2-butyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)quinazolin-4-one;oxalic acid.
Chemical Property Profile of 4(3H)-Quinazolinone, 2-butyl-3-(4-(1-pyrrolidinyl)-2-butynyl)-, oxalate (1:1)
Property Insights of 4(3H)-Quinazolinone, 2-butyl-3-(4-(1-pyrrolidinyl)-2-butynyl)-, oxalate (1:1)
The XLogP value of 1.99 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4(3H)-Quinazolinone, 2-butyl-3-(4-(1-pyrrolidinyl)-2-butynyl)-, oxalate (1:1). The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4(3H)-Quinazolinone, 2-butyl-3-(4-(1-pyrrolidinyl)-2-butynyl)-, oxalate (1:1). Following Lipinski's Rule of Five, 4(3H)-Quinazolinone, 2-butyl-3-(4-(1-pyrrolidinyl)-2-butynyl)-, oxalate (1:1) 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 4(3H)-Quinazolinone, 2-butyl-3-(4-(1-pyrrolidinyl)-2-butynyl)-, oxalate (1:1)?
The CAS number of 4(3H)-Quinazolinone, 2-butyl-3-(4-(1-pyrrolidinyl)-2-butynyl)-, oxalate (1:1) is 23905-33-1.
What is the molecular formula of 4(3H)-Quinazolinone, 2-butyl-3-(4-(1-pyrrolidinyl)-2-butynyl)-, oxalate (1:1)?
The molecular formula of 4(3H)-Quinazolinone, 2-butyl-3-(4-(1-pyrrolidinyl)-2-butynyl)-, oxalate (1:1) is C22H27N3O5.
What is the molecular weight of 4(3H)-Quinazolinone, 2-butyl-3-(4-(1-pyrrolidinyl)-2-butynyl)-, oxalate (1:1)?
The molecular weight of 4(3H)-Quinazolinone, 2-butyl-3-(4-(1-pyrrolidinyl)-2-butynyl)-, oxalate (1:1) is 413.20 g/mol.
Where can I buy 4(3H)-Quinazolinone, 2-butyl-3-(4-(1-pyrrolidinyl)-2-butynyl)-, oxalate (1:1)?
You can request a quote for 4(3H)-Quinazolinone, 2-butyl-3-(4-(1-pyrrolidinyl)-2-butynyl)-, 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 4(3H)-Quinazolinone, 2-butyl-3-(4-(1-pyrrolidinyl)-2-butynyl)-, oxalate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 4(3H)-Quinazolinone, 2-butyl-3-(4-(1-pyrrolidinyl)-2-butynyl)-, oxalate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.