Lirimilast
TL;DR: Lirimilast (CAS 329306-27-6) is a chemical compound with molecular formula C17H12Cl2N2O6S and molecular weight 441.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(carbamoylamino)-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl] methanesulfonate
Also Known As: Lirimilast, Lirimilast [INN], LIRIMILASTUM, LIRIMILAST [WHO-DD], Lirimilast < Prop INN >
| Molecular Formula | C17H12Cl2N2O6S |
|---|---|
| Molecular Weight | 441.98 g/mol |
| LogP | 3.7996 |
| Topological Polar Surface Area | 128.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 441.9793 |
| Heavy Atoms | 28 |
| Complexity | 1219.8558 |
Chemical Identifiers
| CAS Number | 329306-27-6 |
|---|---|
| SMILES | CS(=O)(=O)OC1=CC2=C(C=C1)C(=C(O2)C(=O)C3=C(C=C(C=C3)Cl)Cl)NC(=O)N |
Product Overview
Lirimilast (CAS 329306-27-6), with molecular formula C17H12Cl2N2O6S and molecular weight 441.98 g/mol. IUPAC: [3-(carbamoylamino)-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl] methanesulfonate.
Chemical Property Profile of Lirimilast
Property Insights of Lirimilast
The XLogP value of 3.7996 indicates that Lirimilast is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Lirimilast. Following Lipinski's Rule of Five, Lirimilast has 2 hydrogen bond donor(s) and 6 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 Lirimilast?
The CAS number of Lirimilast is 329306-27-6.
What is the molecular formula of Lirimilast?
The molecular formula of Lirimilast is C17H12Cl2N2O6S.
What is the molecular weight of Lirimilast?
The molecular weight of Lirimilast is 441.98 g/mol.
Where can I buy Lirimilast?
You can request a quote for Lirimilast directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lirimilast?
Yes, KEHONG BIO provides custom synthesis services for Lirimilast and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.