FR-168888 free base
TL;DR: FR-168888 free base (CAS 168620-45-9) is a chemical compound with molecular formula C13H14N4O2 and molecular weight 258.11 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
Also Known As: FR-168888 free base, J1.197.040K, Benzamide, N-(aminoiminomethyl)-3-(hydroxymethyl)-5-(1H-pyrrol-1-yl)-, N-(diaminomethylidene)-3-(hydroxymethyl)-5-pyrrol-1-yl-benzamide, N-(Diaminomethylene)-3-(1H-pyrrole-1-yl)-5-(hydroxymethyl)benzamide
| Molecular Formula | C13H14N4O2 |
|---|---|
| Molecular Weight | 258.11 g/mol |
| LogP | 0.3832 |
| Topological Polar Surface Area | 106.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.11166 |
| Heavy Atoms | 19 |
| Complexity | 613.57837 |
Chemical Identifiers
| CAS Number | 168620-45-9 |
|---|---|
| SMILES | C1=CN(C=C1)C2=CC(=CC(=C2)C(=O)N=C(N)N)CO |
Product Overview
FR-168888 free base (CAS 168620-45-9), with molecular formula C13H14N4O2 and molecular weight 258.11 g/mol. IUPAC: N-(diaminomethylidene)-3-(hydroxymethyl)-5-pyrrol-1-ylbenzamide.
Chemical Property Profile of FR-168888 free base
Property Insights of FR-168888 free base
The XLogP value of 0.3832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for FR-168888 free base. The TPSA of 106.63 Ų falls within the moderate polarity range, balancing permeability and solubility for FR-168888 free base. Following Lipinski's Rule of Five, FR-168888 free base has 3 hydrogen bond donor(s) and 2 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 free base?
The CAS number of FR-168888 free base is 168620-45-9.
What is the molecular formula of FR-168888 free base?
The molecular formula of FR-168888 free base is C13H14N4O2.
What is the molecular weight of FR-168888 free base?
The molecular weight of FR-168888 free base is 258.11 g/mol.
Where can I buy FR-168888 free base?
You can request a quote for FR-168888 free base directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for FR-168888 free base?
Yes, KEHONG BIO provides custom synthesis services for FR-168888 free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.