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N-allyl-6-[(methylsulfonyl)methyl]-2-phenyl-4-pyrimidinamine
TL;DR: N-allyl-6-[(methylsulfonyl)methyl]-2-phenyl-4-pyrimidinamine (CAS 339279-18-4) is a chemical compound with molecular formula C15H17N3O2S and molecular weight 303.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(methylsulfonylmethyl)-2-phenyl-N-prop-2-enylpyrimidin-4-amine
Also Known As: 4L-595S, N-allyl-6-[(methylsulfonyl)methyl]-2-phenyl-4-pyrimidinamine, 6-(methylsulfonylmethyl)-2-phenyl-N-prop-2-enylpyrimidin-4-amine, 6-(methylsulfonylmethyl)-2-phenyl-N-prop-2-enyl-pyrimidin-4-amine, 6-(methanesulfonylmethyl)-2-phenyl-N-(prop-2-en-1-yl)pyrimidin-4-amine
| Molecular Formula | C15H17N3O2S |
|---|---|
| Molecular Weight | 303.10 g/mol |
| LogP | 2.2861 |
| Topological Polar Surface Area | 71.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 303.10416 |
| Heavy Atoms | 21 |
| Complexity | 727.83887 |
Chemical Identifiers
| CAS Number | 339279-18-4 |
|---|---|
| SMILES | CS(=O)(=O)CC1=CC(=NC(=N1)C2=CC=CC=C2)NCC=C |
Product Overview
N-allyl-6-[(methylsulfonyl)methyl]-2-phenyl-4-pyrimidinamine (CAS 339279-18-4), with molecular formula C15H17N3O2S and molecular weight 303.10 g/mol. IUPAC: 6-(methylsulfonylmethyl)-2-phenyl-N-prop-2-enylpyrimidin-4-amine.
Chemical Property Profile of N-allyl-6-[(methylsulfonyl)methyl]-2-phenyl-4-pyrimidinamine
Property Insights of N-allyl-6-[(methylsulfonyl)methyl]-2-phenyl-4-pyrimidinamine
The XLogP value of 2.2861 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-allyl-6-[(methylsulfonyl)methyl]-2-phenyl-4-pyrimidinamine. The TPSA of 71.95 Ų falls within the moderate polarity range, balancing permeability and solubility for N-allyl-6-[(methylsulfonyl)methyl]-2-phenyl-4-pyrimidinamine. Following Lipinski's Rule of Five, N-allyl-6-[(methylsulfonyl)methyl]-2-phenyl-4-pyrimidinamine has 1 hydrogen bond donor(s) and 5 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 N-allyl-6-[(methylsulfonyl)methyl]-2-phenyl-4-pyrimidinamine?
The CAS number of N-allyl-6-[(methylsulfonyl)methyl]-2-phenyl-4-pyrimidinamine is 339279-18-4.
What is the molecular formula of N-allyl-6-[(methylsulfonyl)methyl]-2-phenyl-4-pyrimidinamine?
The molecular formula of N-allyl-6-[(methylsulfonyl)methyl]-2-phenyl-4-pyrimidinamine is C15H17N3O2S.
What is the molecular weight of N-allyl-6-[(methylsulfonyl)methyl]-2-phenyl-4-pyrimidinamine?
The molecular weight of N-allyl-6-[(methylsulfonyl)methyl]-2-phenyl-4-pyrimidinamine is 303.10 g/mol.
Where can I buy N-allyl-6-[(methylsulfonyl)methyl]-2-phenyl-4-pyrimidinamine?
You can request a quote for N-allyl-6-[(methylsulfonyl)methyl]-2-phenyl-4-pyrimidinamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-allyl-6-[(methylsulfonyl)methyl]-2-phenyl-4-pyrimidinamine?
Yes, KEHONG BIO provides custom synthesis services for N-allyl-6-[(methylsulfonyl)methyl]-2-phenyl-4-pyrimidinamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.