Spirapril hydrochloride
TL;DR: Spirapril hydrochloride (CAS 94841-17-5) is a chemical compound with molecular formula C23H32ClNO5S2 and molecular weight 501.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-1,4-dithiaspiro[4.4]nonane-8-carboxylic acid;hydrochloride
Also Known As: Spirapril hydrochloride, Sch 33844, 2-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-6,9-dithiaspiro[4.4]nonane-3-carboxylic acid hydrochloride
| Molecular Formula | C23H32ClNO5S2 |
|---|---|
| Molecular Weight | 501.14 g/mol |
| LogP | 3.81 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 501.14105 |
| Heavy Atoms | 32 |
| Complexity | 646.0 |
Chemical Identifiers
| CAS Number | 94841-17-5 |
|---|---|
| SMILES | CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)C2CC3(CC2C(=O)O)SCCS3.Cl |
| InChIKey | YSBWKUGEOFBLOQ-NNBWZETBSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Spirapril hydrochloride (CAS 94841-17-5), with molecular formula C23H32ClNO5S2 and molecular weight 501.14 g/mol. IUPAC: 7-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-1,4-dithiaspiro[4.4]nonane-8-carboxylic acid;hydrochloride.
Chemical Property Profile of Spirapril hydrochloride
Property Insights of Spirapril hydrochloride
The XLogP value of 3.81 indicates that Spirapril hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 143.0 Ų indicates high polarity, suggesting Spirapril hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Spirapril hydrochloride 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 Spirapril hydrochloride?
The CAS number of Spirapril hydrochloride is 94841-17-5.
What is the molecular formula of Spirapril hydrochloride?
The molecular formula of Spirapril hydrochloride is C23H32ClNO5S2.
What is the molecular weight of Spirapril hydrochloride?
The molecular weight of Spirapril hydrochloride is 501.14 g/mol.
Where can I buy Spirapril hydrochloride?
You can request a quote for Spirapril hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spirapril hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Spirapril hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.