3-Pentyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-2,4(1H,3H)-quinazolinedione oxalate
TL;DR: 3-Pentyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-2,4(1H,3H)-quinazolinedione oxalate (CAS 27456-25-3) is a chemical compound with molecular formula C23H29N3O6 and molecular weight 443.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxalic acid;3-pentyl-1-(4-pyrrolidin-1-ylbut-2-ynyl)quinazoline-2,4-dione
Also Known As: 3-Pentyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-2,4(1H,3H)-quinazolinedione oxalate, 2,4(1H,3H)-Quinazolinedione, 3-pentyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-, oxalate (1:1), 1,2,3,4-Tetrahydro-2,4-dioxo-3-pentyl-1-(4-(1-pyrrolidinyl)-2-butynyl)quinazoline oxalate, 3-pentyl-1-[4-(pyrrolidin-1-yl)but-2-yn-1-yl]quinazoline-2,4(1h,3h)-dione ethanedioate(1:1), oxalic acid,3-pentyl-1-(4-pyrrolidin-1-ylbut-2-ynyl)quinazoline-2,4-dione
| Molecular Formula | C23H29N3O6 |
|---|---|
| Molecular Weight | 443.21 g/mol |
| LogP | 1.6082 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.20563 |
| Heavy Atoms | 32 |
| Complexity | 642.0 |
Chemical Identifiers
| CAS Number | 27456-25-3 |
|---|---|
| SMILES | CCCCCN1C(=O)C2=CC=CC=C2N(C1=O)CC#CCN3CCCC3.C(=O)(C(=O)O)O |
| InChIKey | ADEMSKJGILOCMI-UHFFFAOYSA-N |
Product Overview
3-Pentyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-2,4(1H,3H)-quinazolinedione oxalate (CAS 27456-25-3), with molecular formula C23H29N3O6 and molecular weight 443.21 g/mol. IUPAC: oxalic acid;3-pentyl-1-(4-pyrrolidin-1-ylbut-2-ynyl)quinazoline-2,4-dione.
Chemical Property Profile of 3-Pentyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-2,4(1H,3H)-quinazolinedione oxalate
Property Insights of 3-Pentyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-2,4(1H,3H)-quinazolinedione oxalate
The XLogP value of 1.6082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pentyl-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-Pentyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-2,4(1H,3H)-quinazolinedione oxalate. Following Lipinski's Rule of Five, 3-Pentyl-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-Pentyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-2,4(1H,3H)-quinazolinedione oxalate?
The CAS number of 3-Pentyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-2,4(1H,3H)-quinazolinedione oxalate is 27456-25-3.
What is the molecular formula of 3-Pentyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-2,4(1H,3H)-quinazolinedione oxalate?
The molecular formula of 3-Pentyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-2,4(1H,3H)-quinazolinedione oxalate is C23H29N3O6.
What is the molecular weight of 3-Pentyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-2,4(1H,3H)-quinazolinedione oxalate?
The molecular weight of 3-Pentyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-2,4(1H,3H)-quinazolinedione oxalate is 443.21 g/mol.
Where can I buy 3-Pentyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-2,4(1H,3H)-quinazolinedione oxalate?
You can request a quote for 3-Pentyl-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-Pentyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-2,4(1H,3H)-quinazolinedione oxalate?
Yes, KEHONG BIO provides custom synthesis services for 3-Pentyl-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.