temocapril hydrochloride
TL;DR: temocapril hydrochloride (CAS 110221-45-9) 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-[6-[(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 HCl, CS 622, Temocapril hydrochloride [USAN:JAN], I06-0734
| Molecular Formula | C23H29ClN2O5S2 |
|---|---|
| Molecular Weight | 512.12 g/mol |
| LogP | 3.3937 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 512.12067 |
| Heavy Atoms | 33 |
| Complexity | 897.5214 |
Chemical Identifiers
| CAS Number | 110221-45-9 |
|---|---|
| SMILES | CCOC(=O)C(CCC1=CC=CC=C1)NC2CSC(CN(C2=O)CC(=O)O)C3=CC=CS3.Cl |
Product Overview
temocapril hydrochloride (CAS 110221-45-9), with molecular formula C23H29ClN2O5S2 and molecular weight 512.12 g/mol. IUPAC: 2-[6-[(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 temocapril hydrochloride
Property Insights of temocapril hydrochloride
The XLogP value of 3.3937 indicates that temocapril hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.94 Ų falls within the moderate polarity range, balancing permeability and solubility for temocapril hydrochloride. Following Lipinski's Rule of Five, temocapril hydrochloride has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of temocapril hydrochloride?
The CAS number of temocapril hydrochloride is 110221-45-9.
What is the molecular formula of temocapril hydrochloride?
The molecular formula of temocapril hydrochloride is C23H29ClN2O5S2.
What is the molecular weight of temocapril hydrochloride?
The molecular weight of temocapril hydrochloride is 512.12 g/mol.
Where can I buy temocapril hydrochloride?
You can request a quote for temocapril hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for temocapril hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for temocapril hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.