Spiraprilate
TL;DR: Spiraprilate (CAS 88893-87-2) is a chemical compound with molecular formula C20H26N2O5S2 and molecular weight 438.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-[(1-carboxy-3-phenylpropyl)amino]propanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid
Also Known As: Spiraprilate, SPIRAPRILAT, J3.089.752H, 7-{2-[(1-carboxy-3-phenylpropyl)amino]propanoyl}-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid(non-preferred name), 1,4-Dithia-7-azaspiro(4.4)nonane-8-carboxylic acid, 7-(2-((1-carboxy-3-phenylpropyl)amino)-1-oxopropyl)-
| Molecular Formula | C20H26N2O5S2 |
|---|---|
| Molecular Weight | 438.13 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 438.12833 |
| Heavy Atoms | 29 |
| Complexity | 620.0 |
Chemical Identifiers
| CAS Number | 88893-87-2 |
|---|---|
| SMILES | CC(C(=O)N1CC2(CC1C(=O)O)SCCS2)NC(CCC3=CC=CC=C3)C(=O)O |
| InChIKey | FMMDBLMCSDRUPA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Spiraprilate (CAS 88893-87-2), with molecular formula C20H26N2O5S2 and molecular weight 438.13 g/mol. IUPAC: 7-[2-[(1-carboxy-3-phenylpropyl)amino]propanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid.
Chemical Property Profile of Spiraprilate
Property Insights of Spiraprilate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spiraprilate. The TPSA of 158.0 Ų indicates high polarity, suggesting Spiraprilate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Spiraprilate has 3 hydrogen bond donor(s) and 8 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 Spiraprilate?
The CAS number of Spiraprilate is 88893-87-2.
What is the molecular formula of Spiraprilate?
The molecular formula of Spiraprilate is C20H26N2O5S2.
What is the molecular weight of Spiraprilate?
The molecular weight of Spiraprilate is 438.13 g/mol.
Where can I buy Spiraprilate?
You can request a quote for Spiraprilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spiraprilate?
Yes, KEHONG BIO provides custom synthesis services for Spiraprilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.