RefChem:245421
TL;DR: RefChem:245421 (CAS 1904-44-5) is a chemical compound with molecular formula C17H20ClN3O2 and molecular weight 333.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-(4-pyrrolidin-1-ylbut-2-ynyl)quinazoline-2,4-dione;hydrochloride
Also Known As: 3-Methyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-2,4(1H,3H)-quinazolinedione hydrochloride, 2,4(1H,3H)-Quinazolinedione, 3-methyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-, monohydrochloride, 3-methyl-1-[4-(pyrrolidin-1-yl)but-2-yn-1-yl]quinazoline-2,4(1h,3h)-dione hydrochloride(1:1), 3-methyl-1-(4-pyrrolidin-1-ylbut-2-ynyl)quinazoline-2,4-dione hydrochloride, 3-Methyl-1-[4-(pyrrolidin-1-yl)but-2-yn-1-yl]quinazoline-2,4(1H,3H)-dione--hydrogen chloride (1/1)
| Molecular Formula | C17H20ClN3O2 |
|---|---|
| Molecular Weight | 333.12 g/mol |
| LogP | 1.22 |
| Topological Polar Surface Area | 43.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 333.1244 |
| Heavy Atoms | 23 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 1904-44-5 |
|---|---|
| SMILES | CN1C(=O)C2=CC=CC=C2N(C1=O)CC#CCN3CCCC3.Cl |
| InChIKey | WEYSMUXCKRBGDK-UHFFFAOYSA-N |
Product Overview
RefChem:245421 (CAS 1904-44-5), with molecular formula C17H20ClN3O2 and molecular weight 333.12 g/mol. IUPAC: 3-methyl-1-(4-pyrrolidin-1-ylbut-2-ynyl)quinazoline-2,4-dione;hydrochloride.
Chemical Property Profile of RefChem:245421
Property Insights of RefChem:245421
The XLogP value of 1.22 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:245421. With a topological polar surface area (TPSA) of 43.9 Ų, RefChem:245421 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:245421 has 1 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 RefChem:245421?
The CAS number of RefChem:245421 is 1904-44-5.
What is the molecular formula of RefChem:245421?
The molecular formula of RefChem:245421 is C17H20ClN3O2.
What is the molecular weight of RefChem:245421?
The molecular weight of RefChem:245421 is 333.12 g/mol.
Where can I buy RefChem:245421?
You can request a quote for RefChem:245421 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:245421?
Yes, KEHONG BIO provides custom synthesis services for RefChem:245421 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.