R-112
TL;DR: R-112 (CAS 575474-82-7) is a chemical compound with molecular formula C16H13FN4O2 and molecular weight 312.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[5-fluoro-2-(3-hydroxyanilino)pyrimidin-4-yl]amino]phenol
Also Known As: R112, R 112 (pharMaceutical), R-112, SYK-IN-R112, EX-A798
| Molecular Formula | C16H13FN4O2 |
|---|---|
| Molecular Weight | 312.10 g/mol |
| LogP | 3.5141 |
| Topological Polar Surface Area | 90.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.10226 |
| Heavy Atoms | 23 |
| Complexity | 841.81415 |
Chemical Identifiers
| CAS Number | 575474-82-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)O)NC2=NC(=NC=C2F)NC3=CC(=CC=C3)O |
Product Overview
R-112 (CAS 575474-82-7), with molecular formula C16H13FN4O2 and molecular weight 312.10 g/mol. IUPAC: 3-[[5-fluoro-2-(3-hydroxyanilino)pyrimidin-4-yl]amino]phenol.
Chemical Property Profile of R-112
Property Insights of R-112
The XLogP value of 3.5141 indicates that R-112 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.3 Ų falls within the moderate polarity range, balancing permeability and solubility for R-112. Following Lipinski's Rule of Five, R-112 has 4 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 R-112?
The CAS number of R-112 is 575474-82-7.
What is the molecular formula of R-112?
The molecular formula of R-112 is C16H13FN4O2.
What is the molecular weight of R-112?
The molecular weight of R-112 is 312.10 g/mol.
Where can I buy R-112?
You can request a quote for R-112 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for R-112?
Yes, KEHONG BIO provides custom synthesis services for R-112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.