CRA 1000
TL;DR: CRA 1000 (CAS 226948-11-4) is a chemical compound with molecular formula C28H33FN4S and molecular weight 476.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-4-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methyl-N-(2-methylsulfanyl-4-propan-2-ylphenyl)pyrimidin-2-amine
Also Known As: CRA 1000, PDSP1_001727, PDSP2_001710, SID:85083144, 2-Pyrimidinamine, N-ethyl-4-(4-(3-fluorophenyl)-3,6-dihydro-1(2H)-pyridinyl)-6-methyl-N-(4-(1-methylethyl)-2-(methylthio)phenyl)-
| Molecular Formula | C28H33FN4S |
|---|---|
| Molecular Weight | 476.24 g/mol |
| LogP | 7.22112 |
| Topological Polar Surface Area | 32.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 476.241 |
| Heavy Atoms | 34 |
| Complexity | 1190.7737 |
Chemical Identifiers
| CAS Number | 226948-11-4 |
|---|---|
| SMILES | CCN(C1=C(C=C(C=C1)C(C)C)SC)C2=NC(=CC(=N2)N3CCC(=CC3)C4=CC(=CC=C4)F)C |
Product Overview
CRA 1000 (CAS 226948-11-4), with molecular formula C28H33FN4S and molecular weight 476.24 g/mol. IUPAC: N-ethyl-4-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methyl-N-(2-methylsulfanyl-4-propan-2-ylphenyl)pyrimidin-2-amine.
Chemical Property Profile of CRA 1000
Property Insights of CRA 1000
The XLogP value of 7.22112 indicates that CRA 1000 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.26 Ų, CRA 1000 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CRA 1000 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CRA 1000?
The CAS number of CRA 1000 is 226948-11-4.
What is the molecular formula of CRA 1000?
The molecular formula of CRA 1000 is C28H33FN4S.
What is the molecular weight of CRA 1000?
The molecular weight of CRA 1000 is 476.24 g/mol.
Where can I buy CRA 1000?
You can request a quote for CRA 1000 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CRA 1000?
Yes, KEHONG BIO provides custom synthesis services for CRA 1000 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.