Temocaprilhydrochloride
TL;DR: Temocaprilhydrochloride (CAS 110221-44-8) is a chemical compound with molecular formula C23H29ClN2O5S2 and molecular weight 512.12067 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2S)-6-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid;hydrochloride
Also Known As: temocapril hydrochloride, Temocapril, Temocapril HCl, temocaprilhydrochloride, Glt-leu-phe-NH-meq
Technical Specifications
| Molecular Formula | C23H29ClN2O5S2 |
| Molecular Weight | 512.12067 g/mol |
| XLogP | 3.39 |
| Topological Polar Surface Area (TPSA) | 149.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 512.12067 Da |
| Heavy Atoms | 33 |
| Complexity | 644.0 |
| SMILES | CCOC(=O)[C@H](CCC1=CC=CC=C1)NC2CS[C@@H](CN(C2=O)CC(=O)O)C3=CC=CS3.Cl |
| InChIKey | XDDQNOKKZKHBIX-VMHOVUQGSA-N |
Chemical Property Profile of Temocaprilhydrochloride
Property Insights of Temocaprilhydrochloride
The XLogP value of 3.39 indicates that Temocaprilhydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.0 Ų indicates high polarity, suggesting Temocaprilhydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Temocaprilhydrochloride has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Temocaprilhydrochloride?
The CAS number of Temocaprilhydrochloride is 110221-44-8.
What is the molecular formula of Temocaprilhydrochloride?
The molecular formula of Temocaprilhydrochloride is C23H29ClN2O5S2.
What is the molecular weight of Temocaprilhydrochloride?
The molecular weight of Temocaprilhydrochloride is 512.12067 g/mol.
Where can I buy Temocaprilhydrochloride?
You can request a quote for Temocaprilhydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Temocaprilhydrochloride?
Yes, CoreyChem provides custom synthesis services for Temocaprilhydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.