4(3H)-Quinazolinone, 7-butoxy-3-(4-(diethylamino)-2-butynyl)-, oxalate (2:3)
TL;DR: 4(3H)-Quinazolinone, 7-butoxy-3-(4-(diethylamino)-2-butynyl)-, oxalate (2:3) (CAS 35739-55-0) is a chemical compound with molecular formula C46H60N6O16 and molecular weight 952.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(7-butoxy-3-[4-(diethylamino)but-2-ynyl]quinazolin-4-one);oxalic acid
Also Known As: 4(3H)-Quinazolinone, 7-butoxy-3-(4-(diethylamino)-2-butynyl)-, oxalate (2:3), 7-Butoxy-3-(4-(diethylamino)-2-butynyl)-4(3H)-quinazolinone oxalate (2:3), 7-butoxy-3-[4-(diethylamino)but-2-ynyl]quinazolin-4-one; oxalic acid, Oxalic acid--7-butoxy-3-[4-(diethylamino)but-2-yn-1-yl]quinazolin-4(3H)-one (3/2), RefChem:284318
| Molecular Formula | C46H60N6O16 |
|---|---|
| Molecular Weight | 952.41 g/mol |
| LogP | 3.31 |
| Topological Polar Surface Area | 314.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 19 |
| Exact Mass | 952.40656 |
| Heavy Atoms | 68 |
| Complexity | 587.0 |
Chemical Identifiers
| CAS Number | 35739-55-0 |
|---|---|
| SMILES | CCCCOC1=CC2=C(C=C1)C(=O)N(C=N2)CC#CCN(CC)CC.CCCCOC1=CC2=C(C=C1)C(=O)N(C=N2)CC#CCN(CC)CC.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
| InChIKey | CZLWCCZNRFJTCE-UHFFFAOYSA-N |
Product Overview
4(3H)-Quinazolinone, 7-butoxy-3-(4-(diethylamino)-2-butynyl)-, oxalate (2:3) (CAS 35739-55-0), with molecular formula C46H60N6O16 and molecular weight 952.41 g/mol. IUPAC: bis(7-butoxy-3-[4-(diethylamino)but-2-ynyl]quinazolin-4-one);oxalic acid.
Chemical Property Profile of 4(3H)-Quinazolinone, 7-butoxy-3-(4-(diethylamino)-2-butynyl)-, oxalate (2:3)
Property Insights of 4(3H)-Quinazolinone, 7-butoxy-3-(4-(diethylamino)-2-butynyl)-, oxalate (2:3)
The XLogP value of 3.31 indicates that 4(3H)-Quinazolinone, 7-butoxy-3-(4-(diethylamino)-2-butynyl)-, oxalate (2:3) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 314.0 Ų indicates high polarity, suggesting 4(3H)-Quinazolinone, 7-butoxy-3-(4-(diethylamino)-2-butynyl)-, oxalate (2:3) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4(3H)-Quinazolinone, 7-butoxy-3-(4-(diethylamino)-2-butynyl)-, oxalate (2:3) has 6 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4(3H)-Quinazolinone, 7-butoxy-3-(4-(diethylamino)-2-butynyl)-, oxalate (2:3)?
The CAS number of 4(3H)-Quinazolinone, 7-butoxy-3-(4-(diethylamino)-2-butynyl)-, oxalate (2:3) is 35739-55-0.
What is the molecular formula of 4(3H)-Quinazolinone, 7-butoxy-3-(4-(diethylamino)-2-butynyl)-, oxalate (2:3)?
The molecular formula of 4(3H)-Quinazolinone, 7-butoxy-3-(4-(diethylamino)-2-butynyl)-, oxalate (2:3) is C46H60N6O16.
What is the molecular weight of 4(3H)-Quinazolinone, 7-butoxy-3-(4-(diethylamino)-2-butynyl)-, oxalate (2:3)?
The molecular weight of 4(3H)-Quinazolinone, 7-butoxy-3-(4-(diethylamino)-2-butynyl)-, oxalate (2:3) is 952.41 g/mol.
Where can I buy 4(3H)-Quinazolinone, 7-butoxy-3-(4-(diethylamino)-2-butynyl)-, oxalate (2:3)?
You can request a quote for 4(3H)-Quinazolinone, 7-butoxy-3-(4-(diethylamino)-2-butynyl)-, oxalate (2:3) 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, 7-butoxy-3-(4-(diethylamino)-2-butynyl)-, oxalate (2:3)?
Yes, KEHONG BIO provides custom synthesis services for 4(3H)-Quinazolinone, 7-butoxy-3-(4-(diethylamino)-2-butynyl)-, oxalate (2:3) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.