4(3H)-Quinazolinone, 3-(4-(1-pyrrolidinyl)-2-butynyl)-, dihydrochloride
TL;DR: 4(3H)-Quinazolinone, 3-(4-(1-pyrrolidinyl)-2-butynyl)-, dihydrochloride (CAS 23905-30-8) is a chemical compound with molecular formula C16H19Cl2N3O and molecular weight 339.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-pyrrolidin-1-ylbut-2-ynyl)quinazolin-4-one;dihydrochloride
Also Known As: 4(3H)-Quinazolinone, 3-(4-(1-pyrrolidinyl)-2-butynyl)-, dihydrochloride, 3-(4-(1-Pyrrolidinyl)-2-butynyl)-4(3H)-quinazolinone dihydrochloride, 3-(4-pyrrolidin-1-ylbut-2-ynyl)quinazolin-4-one dihydrochloride, 3-[4-(Pyrrolidin-1-yl)but-2-yn-1-yl]quinazolin-4(3H)-one--hydrogen chloride (1/2), RefChem:284057
| Molecular Formula | C16H19Cl2N3O |
|---|---|
| Molecular Weight | 339.09 g/mol |
| LogP | 2.34 |
| Topological Polar Surface Area | 35.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.0905 |
| Heavy Atoms | 22 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 23905-30-8 |
|---|---|
| SMILES | C1CCN(C1)CC#CCN2C=NC3=CC=CC=C3C2=O.Cl.Cl |
| InChIKey | NAYWTBBBFHLDIT-UHFFFAOYSA-N |
Product Overview
4(3H)-Quinazolinone, 3-(4-(1-pyrrolidinyl)-2-butynyl)-, dihydrochloride (CAS 23905-30-8), with molecular formula C16H19Cl2N3O and molecular weight 339.09 g/mol. IUPAC: 3-(4-pyrrolidin-1-ylbut-2-ynyl)quinazolin-4-one;dihydrochloride.
Chemical Property Profile of 4(3H)-Quinazolinone, 3-(4-(1-pyrrolidinyl)-2-butynyl)-, dihydrochloride
Property Insights of 4(3H)-Quinazolinone, 3-(4-(1-pyrrolidinyl)-2-butynyl)-, dihydrochloride
The XLogP value of 2.34 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4(3H)-Quinazolinone, 3-(4-(1-pyrrolidinyl)-2-butynyl)-, dihydrochloride. With a topological polar surface area (TPSA) of 35.9 Ų, 4(3H)-Quinazolinone, 3-(4-(1-pyrrolidinyl)-2-butynyl)-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4(3H)-Quinazolinone, 3-(4-(1-pyrrolidinyl)-2-butynyl)-, dihydrochloride has 2 hydrogen bond donor(s) and 3 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, 3-(4-(1-pyrrolidinyl)-2-butynyl)-, dihydrochloride?
The CAS number of 4(3H)-Quinazolinone, 3-(4-(1-pyrrolidinyl)-2-butynyl)-, dihydrochloride is 23905-30-8.
What is the molecular formula of 4(3H)-Quinazolinone, 3-(4-(1-pyrrolidinyl)-2-butynyl)-, dihydrochloride?
The molecular formula of 4(3H)-Quinazolinone, 3-(4-(1-pyrrolidinyl)-2-butynyl)-, dihydrochloride is C16H19Cl2N3O.
What is the molecular weight of 4(3H)-Quinazolinone, 3-(4-(1-pyrrolidinyl)-2-butynyl)-, dihydrochloride?
The molecular weight of 4(3H)-Quinazolinone, 3-(4-(1-pyrrolidinyl)-2-butynyl)-, dihydrochloride is 339.09 g/mol.
Where can I buy 4(3H)-Quinazolinone, 3-(4-(1-pyrrolidinyl)-2-butynyl)-, dihydrochloride?
You can request a quote for 4(3H)-Quinazolinone, 3-(4-(1-pyrrolidinyl)-2-butynyl)-, dihydrochloride 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, 3-(4-(1-pyrrolidinyl)-2-butynyl)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4(3H)-Quinazolinone, 3-(4-(1-pyrrolidinyl)-2-butynyl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.