4-chloro-2-(2-imino-6-phenyl-5,6-dihydro-1H-pyrimidin-4-yl)phenol
TL;DR: 4-chloro-2-(2-imino-6-phenyl-5,6-dihydro-1H-pyrimidin-4-yl)phenol (CAS 226904-48-9) is a chemical compound with molecular formula C16H14ClN3O and molecular weight 299.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-amino-4-phenyl-4,5-dihydropyrimidin-6-yl)-4-chlorophenol
Also Known As: NCI60_006271, 4-chloro-2-(2-imino-6-phenyl-5,6-dihydro-1H-pyrimidin-4-yl)phenol, 2-(2-Amino-5,6-dihydro-6-phenyl-4-pyrimidinyl)-4-chlorophenol, 2-(2-Amino-6-phenyl-5,6-dihydropyrimidin-4-yl)-4-chlorophenol, 4-Chloro-2-(2-imino-6-phenyl-1,2,5,6-tetrahydro-4-pyrimidinyl)phenol
| Molecular Formula | C16H14ClN3O |
|---|---|
| Molecular Weight | 299.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 71.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.08255 |
| Heavy Atoms | 21 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 226904-48-9 |
|---|---|
| SMILES | C1C(N=C(N=C1C2=C(C=CC(=C2)Cl)O)N)C3=CC=CC=C3 |
| InChIKey | MTSFRTBCIQTEBZ-UHFFFAOYSA-N |
Product Overview
4-chloro-2-(2-imino-6-phenyl-5,6-dihydro-1H-pyrimidin-4-yl)phenol (CAS 226904-48-9), with molecular formula C16H14ClN3O and molecular weight 299.08 g/mol. IUPAC: 2-(2-amino-4-phenyl-4,5-dihydropyrimidin-6-yl)-4-chlorophenol.
Chemical Property Profile of 4-chloro-2-(2-imino-6-phenyl-5,6-dihydro-1H-pyrimidin-4-yl)phenol
Property Insights of 4-chloro-2-(2-imino-6-phenyl-5,6-dihydro-1H-pyrimidin-4-yl)phenol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-2-(2-imino-6-phenyl-5,6-dihydro-1H-pyrimidin-4-yl)phenol. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-2-(2-imino-6-phenyl-5,6-dihydro-1H-pyrimidin-4-yl)phenol. Following Lipinski's Rule of Five, 4-chloro-2-(2-imino-6-phenyl-5,6-dihydro-1H-pyrimidin-4-yl)phenol has 2 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 4-chloro-2-(2-imino-6-phenyl-5,6-dihydro-1H-pyrimidin-4-yl)phenol?
The CAS number of 4-chloro-2-(2-imino-6-phenyl-5,6-dihydro-1H-pyrimidin-4-yl)phenol is 226904-48-9.
What is the molecular formula of 4-chloro-2-(2-imino-6-phenyl-5,6-dihydro-1H-pyrimidin-4-yl)phenol?
The molecular formula of 4-chloro-2-(2-imino-6-phenyl-5,6-dihydro-1H-pyrimidin-4-yl)phenol is C16H14ClN3O.
What is the molecular weight of 4-chloro-2-(2-imino-6-phenyl-5,6-dihydro-1H-pyrimidin-4-yl)phenol?
The molecular weight of 4-chloro-2-(2-imino-6-phenyl-5,6-dihydro-1H-pyrimidin-4-yl)phenol is 299.08 g/mol.
Where can I buy 4-chloro-2-(2-imino-6-phenyl-5,6-dihydro-1H-pyrimidin-4-yl)phenol?
You can request a quote for 4-chloro-2-(2-imino-6-phenyl-5,6-dihydro-1H-pyrimidin-4-yl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-2-(2-imino-6-phenyl-5,6-dihydro-1H-pyrimidin-4-yl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-2-(2-imino-6-phenyl-5,6-dihydro-1H-pyrimidin-4-yl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.