Icospiramide
TL;DR: Icospiramide (CAS 79449-99-3) is a chemical compound with molecular formula C28H31F2N5O2 and molecular weight 507.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[8-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
Also Known As: Icospiramide, Icospiramida, Icospiramidum, Icospiramid, Icospiramide [INN]
| Molecular Formula | C28H31F2N5O2 |
|---|---|
| Molecular Weight | 507.24 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 93.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 507.24457 |
| Heavy Atoms | 37 |
| Complexity | 889.0 |
Chemical Identifiers
| CAS Number | 79449-99-3 |
|---|---|
| SMILES | C1CC(CCC1N2CCC3(CC2)C(=O)N(CN3C4=CC=C(C=C4)F)CC(=O)N)(C#N)C5=CC=C(C=C5)F |
| InChIKey | HVWIHGNIDIIREZ-UHFFFAOYSA-N |
Product Overview
Icospiramide (CAS 79449-99-3), with molecular formula C28H31F2N5O2 and molecular weight 507.24 g/mol. IUPAC: 2-[8-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.
Chemical Property Profile of Icospiramide
Property Insights of Icospiramide
The XLogP value of 3.4 indicates that Icospiramide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Icospiramide. Following Lipinski's Rule of Five, Icospiramide has 1 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 Icospiramide?
The CAS number of Icospiramide is 79449-99-3.
What is the molecular formula of Icospiramide?
The molecular formula of Icospiramide is C28H31F2N5O2.
What is the molecular weight of Icospiramide?
The molecular weight of Icospiramide is 507.24 g/mol.
Where can I buy Icospiramide?
You can request a quote for Icospiramide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Icospiramide?
Yes, KEHONG BIO provides custom synthesis services for Icospiramide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.