西马司他
TL;DR: 西马司他 (CAS 190648-49-8) is a chemical compound with molecular formula C22H36N4O5 and molecular weight 436.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
西马司他
(2S,3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-piperidin-1-yl-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanamide
Also Known As: Cipemastat, Cipemastat [USAN:INN], KST-1A2760, Ro-32-3555, Ro 32-3555
| Molecular Formula | C22H36N4O5 |
|---|---|
| Molecular Weight | 436.27 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 436.2686 |
| Heavy Atoms | 31 |
| Complexity | 713.0 |
Chemical Identifiers
| CAS Number | 190648-49-8 |
|---|---|
| SMILES | CC1(C(=O)N(C(=O)N1C)C[C@H]([C@@H](CC2CCCC2)C(=O)N3CCCCC3)C(=O)NO)C |
| InChIKey | GFUITADOEPNRML-IAGOWNOFSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
西马司他 (CAS 190648-49-8), with molecular formula C22H36N4O5 and molecular weight 436.27 g/mol. IUPAC: (2S,3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-piperidin-1-yl-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanamide.
Chemical Property Profile of 西马司他
Property Insights of 西马司他
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 西马司他. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 西马司他. Following Lipinski's Rule of Five, 西马司他 has 2 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 西马司他?
The CAS number of 西马司他 is 190648-49-8.
What is the molecular formula of 西马司他?
The molecular formula of 西马司他 is C22H36N4O5.
What is the molecular weight of 西马司他?
The molecular weight of 西马司他 is 436.27 g/mol.
Where can I buy 西马司他?
You can request a quote for 西马司他 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 西马司他?
Yes, KEHONG BIO provides custom synthesis services for 西马司他 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.