RefChem:245643
TL;DR: RefChem:245643 (CAS 1038-00-2) is a chemical compound with molecular formula C16H20ClN3O3 and molecular weight 337.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenyl-5-(2-pyrrolidin-1-ylethyl)-1,3-diazinane-2,4,6-trione;hydrochloride
Also Known As: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-phenyl-5-(2-(1-pyrrolidinyl)ethyl)-, monohydrochloride, 5-phenyl-5-[2-(pyrrolidin-1-yl)ethyl]pyrimidine-2,4,6(1h,3h,5h)-trione hydrochloride(1:1), 5-phenyl-5-(2-pyrrolidin-1-ylethyl)-1,3-diazinane-2,4,6-trione hydrochloride, 5-Phenyl-5-[2-(pyrrolidin-1-yl)ethyl]-1,3-diazinane-2,4,6-trione--hydrogen chloride (1/1), RefChem:245643
| Molecular Formula | C16H20ClN3O3 |
|---|---|
| Molecular Weight | 337.12 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 78.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.11932 |
| Heavy Atoms | 23 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 1038-00-2 |
|---|---|
| SMILES | C1CCN(C1)CCC2(C(=O)NC(=O)NC2=O)C3=CC=CC=C3.Cl |
| InChIKey | OHUFOCHFVNTOGX-UHFFFAOYSA-N |
Product Overview
RefChem:245643 (CAS 1038-00-2), with molecular formula C16H20ClN3O3 and molecular weight 337.12 g/mol. IUPAC: 5-phenyl-5-(2-pyrrolidin-1-ylethyl)-1,3-diazinane-2,4,6-trione;hydrochloride.
Chemical Property Profile of RefChem:245643
Property Insights of RefChem:245643
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:245643. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:245643. Following Lipinski's Rule of Five, RefChem:245643 has 3 hydrogen bond donor(s) and 4 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:245643?
The CAS number of RefChem:245643 is 1038-00-2.
What is the molecular formula of RefChem:245643?
The molecular formula of RefChem:245643 is C16H20ClN3O3.
What is the molecular weight of RefChem:245643?
The molecular weight of RefChem:245643 is 337.12 g/mol.
Where can I buy RefChem:245643?
You can request a quote for RefChem:245643 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:245643?
Yes, KEHONG BIO provides custom synthesis services for RefChem:245643 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.