RefChem:237773
TL;DR: RefChem:237773 (CAS 49786-55-2) is a chemical compound with molecular formula C14H24ClN3O2 and molecular weight 301.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(diethylamino)ethyl]-3-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione;hydrochloride
Also Known As: 1H-Cyclopentapyrimidine-2,4(3H,5H)-dione, 6,7-dihydro-1-(2-(diethylamino)ethyl)-3-methyl-, monohydrochloride, 6,7-Dihydro-1-(2-(diethylamino)ethyl)-3-methyl-1H-cyclopentapyrimidine-2,4(3H,5H)-dione HCl, 1-(2-diethylaminoethyl)-3-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione hydrochloride, 1-[2-(Diethylamino)ethyl]-3-methyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione--hydrogen chloride (1/1), RefChem:237773
| Molecular Formula | C14H24ClN3O2 |
|---|---|
| Molecular Weight | 301.16 g/mol |
| LogP | 0.7993 |
| Topological Polar Surface Area | 43.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.1557 |
| Heavy Atoms | 20 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 49786-55-2 |
|---|---|
| SMILES | CCN(CC)CCN1C2=C(CCC2)C(=O)N(C1=O)C.Cl |
| InChIKey | GMWKELGVEBCHRP-UHFFFAOYSA-N |
Product Overview
RefChem:237773 (CAS 49786-55-2), with molecular formula C14H24ClN3O2 and molecular weight 301.16 g/mol. IUPAC: 1-[2-(diethylamino)ethyl]-3-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione;hydrochloride.
Chemical Property Profile of RefChem:237773
Property Insights of RefChem:237773
The XLogP value of 0.7993 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:237773. With a topological polar surface area (TPSA) of 43.9 Ų, RefChem:237773 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:237773 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:237773?
The CAS number of RefChem:237773 is 49786-55-2.
What is the molecular formula of RefChem:237773?
The molecular formula of RefChem:237773 is C14H24ClN3O2.
What is the molecular weight of RefChem:237773?
The molecular weight of RefChem:237773 is 301.16 g/mol.
Where can I buy RefChem:237773?
You can request a quote for RefChem:237773 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:237773?
Yes, KEHONG BIO provides custom synthesis services for RefChem:237773 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.