RefChem:283644
TL;DR: RefChem:283644 (CAS 20887-36-9) is a chemical compound with molecular formula C21H28ClN3O4 and molecular weight 421.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(diethylamino)acetyl]-3-(4-methoxyphenyl)-2H-quinazolin-4-one;hydrate;hydrochloride
Also Known As: 4(1H)-Quinazolinone, 2,3-dihydro-1-(diethylaminoacetyl)-3-(p-methoxyphenyl)-, hydrochloride, hydrate, 1-[2-(Diethylamino)acetyl]-3-(4-methoxyphenyl)-2H-quinazolin-4-onehydrate hydrochloride, 1-[2-(diethylamino)acetyl]-3-(4-methoxyphenyl)-2H-quinazolin-4-one hydrate hydrochloride, 4(3H)-Quinazolinone, 2,3-dihydro-1-(diethylaminoacetyl)-3-(p-methoxyphenyl)-, HCl, H2O, 1-[(Diethylamino)acetyl]-3-(4-methoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one--hydrogen chloride--water (1/1/1)
| Molecular Formula | C21H28ClN3O4 |
|---|---|
| Molecular Weight | 421.18 g/mol |
| LogP | 2.59 |
| Topological Polar Surface Area | 54.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.17682 |
| Heavy Atoms | 29 |
| Complexity | 515.0 |
Chemical Identifiers
| CAS Number | 20887-36-9 |
|---|---|
| SMILES | CCN(CC)CC(=O)N1CN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OC.O.Cl |
| InChIKey | IUKDXQVEWQGWEJ-UHFFFAOYSA-N |
Product Overview
RefChem:283644 (CAS 20887-36-9), with molecular formula C21H28ClN3O4 and molecular weight 421.18 g/mol. IUPAC: 1-[2-(diethylamino)acetyl]-3-(4-methoxyphenyl)-2H-quinazolin-4-one;hydrate;hydrochloride.
Chemical Property Profile of RefChem:283644
Property Insights of RefChem:283644
The XLogP value of 2.59 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:283644. With a topological polar surface area (TPSA) of 54.1 Ų, RefChem:283644 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:283644 has 2 hydrogen bond donor(s) and 5 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:283644?
The CAS number of RefChem:283644 is 20887-36-9.
What is the molecular formula of RefChem:283644?
The molecular formula of RefChem:283644 is C21H28ClN3O4.
What is the molecular weight of RefChem:283644?
The molecular weight of RefChem:283644 is 421.18 g/mol.
Where can I buy RefChem:283644?
You can request a quote for RefChem:283644 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:283644?
Yes, KEHONG BIO provides custom synthesis services for RefChem:283644 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.