Temocaprilhydrochloride
TL;DR: Temocaprilhydrochloride (CAS 110221-44-8) is a chemical compound with molecular formula C23H29ClN2O5S2 and molecular weight 512.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C23H29ClN2O5S2 |
|---|---|
| Molecular Weight | 512.12 g/mol |
| LogP | 3.39 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 512.12067 |
| Heavy Atoms | 33 |
| Complexity | 644.0 |
Chemical Identifiers
| CAS Number | 110221-44-8 |
|---|---|
| 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 |
Product Overview
Temocaprilhydrochloride (CAS 110221-44-8), with molecular formula C23H29ClN2O5S2 and molecular weight 512.12 g/mol. IUPAC: 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.
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
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 512.12 g/mol.
Where can I buy Temocaprilhydrochloride?
You can request a quote for Temocaprilhydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Temocaprilhydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Temocaprilhydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.