RefChem:245401
TL;DR: RefChem:245401 (CAS 1904-43-4) is a chemical compound with molecular formula C17H22ClN3O2 and molecular weight 335.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(diethylamino)but-2-ynyl]-3-methylquinazoline-2,4-dione;hydrochloride
Also Known As: KST-1B1375, 1-(4-(Diethylamino)-2-butynyl)-3-methyl-2,4(1H,3H)-quinazolinedione hydrochloride, 1-[4-(diethylamino)but-2-yn-1-yl]-3-methylquinazoline-2,4(1h,3h)-dione hydrochloride(1:1), 2,4(1H,3H)-Quinazolinedione, 1-(4-(diethylamino)-2-butynyl)-3-methyl-, monohydrochloride, 1-[4-(diethylamino)but-2-ynyl]-3-methylquinazoline-2,4-dione hydrochloride
| Molecular Formula | C17H22ClN3O2 |
|---|---|
| Molecular Weight | 335.14 g/mol |
| LogP | 1.47 |
| Topological Polar Surface Area | 43.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.14005 |
| Heavy Atoms | 23 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 1904-43-4 |
|---|---|
| SMILES | CCN(CC)CC#CCN1C2=CC=CC=C2C(=O)N(C1=O)C.Cl |
| InChIKey | AIQDNYBLMQIVTE-UHFFFAOYSA-N |
Product Overview
RefChem:245401 (CAS 1904-43-4), with molecular formula C17H22ClN3O2 and molecular weight 335.14 g/mol. IUPAC: 1-[4-(diethylamino)but-2-ynyl]-3-methylquinazoline-2,4-dione;hydrochloride.
Chemical Property Profile of RefChem:245401
Property Insights of RefChem:245401
The XLogP value of 1.47 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:245401. With a topological polar surface area (TPSA) of 43.9 Ų, RefChem:245401 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:245401 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:245401?
The CAS number of RefChem:245401 is 1904-43-4.
What is the molecular formula of RefChem:245401?
The molecular formula of RefChem:245401 is C17H22ClN3O2.
What is the molecular weight of RefChem:245401?
The molecular weight of RefChem:245401 is 335.14 g/mol.
Where can I buy RefChem:245401?
You can request a quote for RefChem:245401 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:245401?
Yes, KEHONG BIO provides custom synthesis services for RefChem:245401 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.