Elbimilast
TL;DR: Elbimilast (CAS 418794-93-1) is a chemical compound with molecular formula C21H13Cl2FN4O2 and molecular weight 442.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-2-oxoacetamide
Also Known As: Ronomilast, Elbimilast, Elbimilast [INN], Ronomilast [INN], PDE4 inhibitor, elbion
| Molecular Formula | C21H13Cl2FN4O2 |
|---|---|
| Molecular Weight | 442.04 g/mol |
| LogP | 4.7469 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.03995 |
| Heavy Atoms | 30 |
| Complexity | 1251.7379 |
Chemical Identifiers
| CAS Number | 418794-93-1 |
|---|---|
| SMILES | C1=CC2=C(N=C1)N(C=C2C(=O)C(=O)NC3=C(C=NC=C3Cl)Cl)CC4=CC=C(C=C4)F |
Product Overview
Elbimilast (CAS 418794-93-1), with molecular formula C21H13Cl2FN4O2 and molecular weight 442.04 g/mol. IUPAC: N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-2-oxoacetamide.
Chemical Property Profile of Elbimilast
Property Insights of Elbimilast
The XLogP value of 4.7469 indicates that Elbimilast is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Elbimilast. Following Lipinski's Rule of Five, Elbimilast has 1 hydrogen bond donor(s) and 4 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 Elbimilast?
The CAS number of Elbimilast is 418794-93-1.
What is the molecular formula of Elbimilast?
The molecular formula of Elbimilast is C21H13Cl2FN4O2.
What is the molecular weight of Elbimilast?
The molecular weight of Elbimilast is 442.04 g/mol.
Where can I buy Elbimilast?
You can request a quote for Elbimilast directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Elbimilast?
Yes, KEHONG BIO provides custom synthesis services for Elbimilast and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.