R547
TL;DR: R547 (CAS 741714-01-2) is a chemical compound with molecular formula C18H21F2N5O4S and molecular weight 441.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2,3-difluoro-6-methoxyphenyl)methanone
Also Known As: 2fvd, R547 compound, Ro 4584820, (4-amino-2-((1-(methylsulfonyl)piperidin-4-yl)amino)pyrimidin-5-yl)(2,3-difluoro-6-methoxyphenyl)methanone, 741713-40-6 (free base)
| Molecular Formula | C18H21F2N5O4S |
|---|---|
| Molecular Weight | 441.13 g/mol |
| LogP | 1.4125 |
| Topological Polar Surface Area | 127.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 441.12823 |
| Heavy Atoms | 30 |
| Complexity | 1072.4867 |
Chemical Identifiers
| CAS Number | 741714-01-2 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)F)F)C(=O)C2=CN=C(N=C2N)NC3CCN(CC3)S(=O)(=O)C |
Product Overview
R547 (CAS 741714-01-2), with molecular formula C18H21F2N5O4S and molecular weight 441.13 g/mol. IUPAC: [4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2,3-difluoro-6-methoxyphenyl)methanone.
Chemical Property Profile of R547
Property Insights of R547
The XLogP value of 1.4125 suggests moderate lipophilicity, balancing water solubility and membrane permeability for R547. The TPSA of 127.51 Ų falls within the moderate polarity range, balancing permeability and solubility for R547. Following Lipinski's Rule of Five, R547 has 2 hydrogen bond donor(s) and 8 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 R547?
The CAS number of R547 is 741714-01-2.
What is the molecular formula of R547?
The molecular formula of R547 is C18H21F2N5O4S.
What is the molecular weight of R547?
The molecular weight of R547 is 441.13 g/mol.
Where can I buy R547?
You can request a quote for R547 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for R547?
Yes, KEHONG BIO provides custom synthesis services for R547 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.