Roflumilast
TL;DR: Roflumilast (CAS 1398065-69-4) is a chemical compound with molecular formula C17H14Cl2F2N2O3 and molecular weight 402.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide
Also Known As: Roflumilast, Daliresp, DAXAS, Libertek, roflumilastum
| Molecular Formula | C17H14Cl2F2N2O3 |
|---|---|
| Molecular Weight | 402.03 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 60.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 402.03494 |
| Heavy Atoms | 26 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 1398065-69-4 |
|---|---|
| SMILES | C1CC1COC2=C(C=CC(=C2)C(=O)NC3=C(C=NC=C3Cl)Cl)OC(F)F |
| InChIKey | MNDBXUUTURYVHR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Roflumilast (CAS 1398065-69-4), with molecular formula C17H14Cl2F2N2O3 and molecular weight 402.03 g/mol. IUPAC: 3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide.
Chemical Property Profile of Roflumilast
Property Insights of Roflumilast
The XLogP value of 4.6 indicates that Roflumilast is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Roflumilast. Following Lipinski's Rule of Five, Roflumilast has 1 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 Roflumilast?
The CAS number of Roflumilast is 1398065-69-4.
What is the molecular formula of Roflumilast?
The molecular formula of Roflumilast is C17H14Cl2F2N2O3.
What is the molecular weight of Roflumilast?
The molecular weight of Roflumilast is 402.03 g/mol.
Where can I buy Roflumilast?
You can request a quote for Roflumilast directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Roflumilast?
Yes, KEHONG BIO provides custom synthesis services for Roflumilast and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.