FR-168888 mesylate
TL;DR: FR-168888 mesylate (CAS 168620-46-0) is a chemical compound with molecular formula C14H18N4O5S and molecular weight 354.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(diaminomethylidene)-3-(hydroxymethyl)-5-pyrrol-1-ylbenzamide;methanesulfonic acid
Also Known As: FR-168888 mesylate, 168620-46-0 (mesylate), Benzamide, N-(aminoiminomethyl)-3-(hydroxymethyl)-5-(1H-pyrrol-1-yl)-, methanesulfonate (1:1), Benzamide, N-(aminoiminomethyl)-3-(hydroxymethyl)-5-(1H-pyrrol-1-yl)-, monomethanesulfonate (salt), N-(diaminomethylidene)-3-(hydroxymethyl)-5-pyrrol-1-ylbenzamide;methanesulfonic acid
| Molecular Formula | C14H18N4O5S |
|---|---|
| Molecular Weight | 354.10 g/mol |
| LogP | -0.1128 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.0998 |
| Heavy Atoms | 24 |
| Complexity | 816.8546 |
Chemical Identifiers
| CAS Number | 168620-46-0 |
|---|---|
| SMILES | CS(=O)(=O)O.C1=CN(C=C1)C2=CC(=CC(=C2)C(=O)N=C(N)N)CO |
Product Overview
FR-168888 mesylate (CAS 168620-46-0), with molecular formula C14H18N4O5S and molecular weight 354.10 g/mol. IUPAC: N-(diaminomethylidene)-3-(hydroxymethyl)-5-pyrrol-1-ylbenzamide;methanesulfonic acid.
Chemical Property Profile of FR-168888 mesylate
Property Insights of FR-168888 mesylate
The XLogP value of -0.1128 indicates that FR-168888 mesylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 161.0 Ų indicates high polarity, suggesting FR-168888 mesylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, FR-168888 mesylate has 4 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 FR-168888 mesylate?
The CAS number of FR-168888 mesylate is 168620-46-0.
What is the molecular formula of FR-168888 mesylate?
The molecular formula of FR-168888 mesylate is C14H18N4O5S.
What is the molecular weight of FR-168888 mesylate?
The molecular weight of FR-168888 mesylate is 354.10 g/mol.
Where can I buy FR-168888 mesylate?
You can request a quote for FR-168888 mesylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for FR-168888 mesylate?
Yes, KEHONG BIO provides custom synthesis services for FR-168888 mesylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.