4-Imidazolidinepropionic acid, 1-(3-(dimethylamino)propyl)-5-oxo-2-thioxo-, ethyl ester, hydrochloride, (+-)-
TL;DR: 4-Imidazolidinepropionic acid, 1-(3-(dimethylamino)propyl)-5-oxo-2-thioxo-, ethyl ester, hydrochloride, (+-)- (CAS 86503-33-5) is a chemical compound with molecular formula C13H24ClN3O3S and molecular weight 337.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[1-[3-(dimethylamino)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]propanoate;hydrochloride
Also Known As: 4-Imidazolidinepropionic acid, 1-(3-(dimethylamino)propyl)-5-oxo-2-thioxo-, ethyl ester, hydrochloride, (+-)-, ethyl 3-[1-[3-(dimethylamino)propyl]-5-oxo-2-sulfanylideneim, ethyl 3-[1-[3-(dimethylamino)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]propanoate hydrochloride, Ethyl 3-{1-[3-(dimethylamino)propyl]-5-oxo-2-sulfanyl-4,5-dihydro-1H-imidazol-4-yl}propanoate--hydrogen chloride (1/1), RefChem:293457
| Molecular Formula | C13H24ClN3O3S |
|---|---|
| Molecular Weight | 337.12 g/mol |
| LogP | 0.7885 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 337.12268 |
| Heavy Atoms | 21 |
| Complexity | 379.67297 |
Chemical Identifiers
| CAS Number | 86503-33-5 |
|---|---|
| SMILES | CCOC(=O)CCC1C(=O)N(C(=S)N1)CCCN(C)C.Cl |
Product Overview
4-Imidazolidinepropionic acid, 1-(3-(dimethylamino)propyl)-5-oxo-2-thioxo-, ethyl ester, hydrochloride, (+-)- (CAS 86503-33-5), with molecular formula C13H24ClN3O3S and molecular weight 337.12 g/mol. IUPAC: ethyl 3-[1-[3-(dimethylamino)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]propanoate;hydrochloride.
Chemical Property Profile of 4-Imidazolidinepropionic acid, 1-(3-(dimethylamino)propyl)-5-oxo-2-thioxo-, ethyl ester, hydrochloride, (+-)-
Property Insights of 4-Imidazolidinepropionic acid, 1-(3-(dimethylamino)propyl)-5-oxo-2-thioxo-, ethyl ester, hydrochloride, (+-)-
The XLogP value of 0.7885 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Imidazolidinepropionic acid, 1-(3-(dimethylamino)propyl)-5-oxo-2-thioxo-, ethyl ester, hydrochloride, (+-)-. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Imidazolidinepropionic acid, 1-(3-(dimethylamino)propyl)-5-oxo-2-thioxo-, ethyl ester, hydrochloride, (+-)-. Following Lipinski's Rule of Five, 4-Imidazolidinepropionic acid, 1-(3-(dimethylamino)propyl)-5-oxo-2-thioxo-, ethyl ester, hydrochloride, (+-)- has 1 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 4-Imidazolidinepropionic acid, 1-(3-(dimethylamino)propyl)-5-oxo-2-thioxo-, ethyl ester, hydrochloride, (+-)-?
The CAS number of 4-Imidazolidinepropionic acid, 1-(3-(dimethylamino)propyl)-5-oxo-2-thioxo-, ethyl ester, hydrochloride, (+-)- is 86503-33-5.
What is the molecular formula of 4-Imidazolidinepropionic acid, 1-(3-(dimethylamino)propyl)-5-oxo-2-thioxo-, ethyl ester, hydrochloride, (+-)-?
The molecular formula of 4-Imidazolidinepropionic acid, 1-(3-(dimethylamino)propyl)-5-oxo-2-thioxo-, ethyl ester, hydrochloride, (+-)- is C13H24ClN3O3S.
What is the molecular weight of 4-Imidazolidinepropionic acid, 1-(3-(dimethylamino)propyl)-5-oxo-2-thioxo-, ethyl ester, hydrochloride, (+-)-?
The molecular weight of 4-Imidazolidinepropionic acid, 1-(3-(dimethylamino)propyl)-5-oxo-2-thioxo-, ethyl ester, hydrochloride, (+-)- is 337.12 g/mol.
Where can I buy 4-Imidazolidinepropionic acid, 1-(3-(dimethylamino)propyl)-5-oxo-2-thioxo-, ethyl ester, hydrochloride, (+-)-?
You can request a quote for 4-Imidazolidinepropionic acid, 1-(3-(dimethylamino)propyl)-5-oxo-2-thioxo-, ethyl ester, hydrochloride, (+-)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Imidazolidinepropionic acid, 1-(3-(dimethylamino)propyl)-5-oxo-2-thioxo-, ethyl ester, hydrochloride, (+-)-?
Yes, KEHONG BIO provides custom synthesis services for 4-Imidazolidinepropionic acid, 1-(3-(dimethylamino)propyl)-5-oxo-2-thioxo-, ethyl ester, hydrochloride, (+-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.