C18H21NO5S
TL;DR: C18H21NO5S (CAS 86709-48-0) is a chemical compound with molecular formula C18H21NO5S and molecular weight 363.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-acetylsulfanyl-2-methyl-4-oxo-4-phenylbutanoyl)pyrrolidine-2-carboxylic acid
Also Known As: CL 242817, 1-((3-Acetylthio)-3-benzoyl-2-methylpropionyl)-L-proline
| Molecular Formula | C18H21NO5S |
|---|---|
| Molecular Weight | 363.11 g/mol |
| LogP | 2.2293 |
| Topological Polar Surface Area | 91.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 363.11404 |
| Heavy Atoms | 25 |
| Complexity | 675.30383 |
Chemical Identifiers
| CAS Number | 86709-48-0 |
|---|---|
| SMILES | CC(C(C(=O)C1=CC=CC=C1)SC(=O)C)C(=O)N2CCCC2C(=O)O |
Product Overview
C18H21NO5S (CAS 86709-48-0), with molecular formula C18H21NO5S and molecular weight 363.11 g/mol. IUPAC: 1-(3-acetylsulfanyl-2-methyl-4-oxo-4-phenylbutanoyl)pyrrolidine-2-carboxylic acid.
Chemical Property Profile of C18H21NO5S
Property Insights of C18H21NO5S
The XLogP value of 2.2293 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C18H21NO5S. The TPSA of 91.75 Ų falls within the moderate polarity range, balancing permeability and solubility for C18H21NO5S. Following Lipinski's Rule of Five, C18H21NO5S has 1 hydrogen bond donor(s) and 5 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 C18H21NO5S?
The CAS number of C18H21NO5S is 86709-48-0.
What is the molecular formula of C18H21NO5S?
The molecular formula of C18H21NO5S is C18H21NO5S.
What is the molecular weight of C18H21NO5S?
The molecular weight of C18H21NO5S is 363.11 g/mol.
Where can I buy C18H21NO5S?
You can request a quote for C18H21NO5S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H21NO5S?
Yes, KEHONG BIO provides custom synthesis services for C18H21NO5S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.