Sepimostat mesilate
TL;DR: Sepimostat mesilate (CAS 103926-82-5) is a chemical compound with molecular formula C22H23N5O5S and molecular weight 469.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-carbamimidoylnaphthalen-2-yl) 4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoate;methanesulfonic acid
Also Known As: Sepimostat mesilate, Sepimostat mesylate, sepimostate mesilate, Renofuthan, Fut 187
| Molecular Formula | C22H23N5O5S |
|---|---|
| Molecular Weight | 469.14 g/mol |
| LogP | 2.22 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 469.142 |
| Heavy Atoms | 33 |
| Complexity | 706.0 |
Chemical Identifiers
| CAS Number | 103926-82-5 |
|---|---|
| SMILES | CS(=O)(=O)O.C1CN=C(N1)NC2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)C=C(C=C4)C(=N)N |
| InChIKey | NAMGRNXMZHEICS-UHFFFAOYSA-N |
Product Overview
Sepimostat mesilate (CAS 103926-82-5), with molecular formula C22H23N5O5S and molecular weight 469.14 g/mol. IUPAC: (6-carbamimidoylnaphthalen-2-yl) 4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoate;methanesulfonic acid.
Chemical Property Profile of Sepimostat mesilate
Property Insights of Sepimostat mesilate
The XLogP value of 2.22 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sepimostat mesilate. The TPSA of 175.0 Ų indicates high polarity, suggesting Sepimostat mesilate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sepimostat mesilate has 5 hydrogen bond donor(s) and 7 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 Sepimostat mesilate?
The CAS number of Sepimostat mesilate is 103926-82-5.
What is the molecular formula of Sepimostat mesilate?
The molecular formula of Sepimostat mesilate is C22H23N5O5S.
What is the molecular weight of Sepimostat mesilate?
The molecular weight of Sepimostat mesilate is 469.14 g/mol.
Where can I buy Sepimostat mesilate?
You can request a quote for Sepimostat mesilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sepimostat mesilate?
Yes, KEHONG BIO provides custom synthesis services for Sepimostat mesilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.