Bepafant
TL;DR: Bepafant (CAS 114776-28-2) is a chemical compound with molecular formula C23H22ClN5O2S and molecular weight 467.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[9-(2-chlorophenyl)-3-methyl-16-thia-2,4,5,8-tetrazatetracyclo[8.6.0.02,6.011,15]hexadeca-1(10),3,5,8,11(15)-pentaen-13-yl]-morpholin-4-ylmethanone
Also Known As: Bepafant, Bepafanto, Bepafant [INN], bepafantum, bepafant o
| Molecular Formula | C23H22ClN5O2S |
|---|---|
| Molecular Weight | 467.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 467.1183 |
| Heavy Atoms | 32 |
| Complexity | 765.0 |
Chemical Identifiers
| CAS Number | 114776-28-2 |
|---|---|
| SMILES | CC1=NN=C2N1C3=C(C4=C(S3)CC(C4)C(=O)N5CCOCC5)C(=NC2)C6=CC=CC=C6Cl |
| InChIKey | FWYVRZOREBYLCY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bepafant (CAS 114776-28-2), with molecular formula C23H22ClN5O2S and molecular weight 467.12 g/mol. IUPAC: [9-(2-chlorophenyl)-3-methyl-16-thia-2,4,5,8-tetrazatetracyclo[8.6.0.02,6.011,15]hexadeca-1(10),3,5,8,11(15)-pentaen-13-yl]-morpholin-4-ylmethanone.
Chemical Property Profile of Bepafant
Property Insights of Bepafant
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bepafant. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bepafant. Following Lipinski's Rule of Five, Bepafant has 0 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 Bepafant?
The CAS number of Bepafant is 114776-28-2.
What is the molecular formula of Bepafant?
The molecular formula of Bepafant is C23H22ClN5O2S.
What is the molecular weight of Bepafant?
The molecular weight of Bepafant is 467.12 g/mol.
Where can I buy Bepafant?
You can request a quote for Bepafant directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bepafant?
Yes, KEHONG BIO provides custom synthesis services for Bepafant and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.