![N-allyl-4-[(4-chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxamide structure](/static/products/4778/477859-44-2.webp)
N-allyl-4-[(4-chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxamide
TL;DR: N-allyl-4-[(4-chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxamide (CAS 477859-44-2) is a chemical compound with molecular formula C20H16ClN3OS and molecular weight 381.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)sulfanyl-2-phenyl-N-prop-2-enylpyrimidine-5-carboxamide
Also Known As: Bionet1_004013, DivK1c_002509, CDS1_001469, 12M-509S, N-allyl-4-[(4-chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxamide
| Molecular Formula | C20H16ClN3OS |
|---|---|
| Molecular Weight | 381.07 g/mol |
| LogP | 4.864 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.07025 |
| Heavy Atoms | 26 |
| Complexity | 914.09924 |
Chemical Identifiers
| CAS Number | 477859-44-2 |
|---|---|
| SMILES | C=CCNC(=O)C1=CN=C(N=C1SC2=CC=C(C=C2)Cl)C3=CC=CC=C3 |
Product Overview
N-allyl-4-[(4-chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxamide (CAS 477859-44-2), with molecular formula C20H16ClN3OS and molecular weight 381.07 g/mol. IUPAC: 4-(4-chlorophenyl)sulfanyl-2-phenyl-N-prop-2-enylpyrimidine-5-carboxamide.
Chemical Property Profile of N-allyl-4-[(4-chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxamide
Property Insights of N-allyl-4-[(4-chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxamide
The XLogP value of 4.864 indicates that N-allyl-4-[(4-chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, N-allyl-4-[(4-chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-allyl-4-[(4-chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxamide has 1 hydrogen bond donor(s) and 4 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-4-[(4-chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxamide?
The CAS number of N-allyl-4-[(4-chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxamide is 477859-44-2.
What is the molecular formula of N-allyl-4-[(4-chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxamide?
The molecular formula of N-allyl-4-[(4-chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxamide is C20H16ClN3OS.
What is the molecular weight of N-allyl-4-[(4-chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxamide?
The molecular weight of N-allyl-4-[(4-chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxamide is 381.07 g/mol.
Where can I buy N-allyl-4-[(4-chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxamide?
You can request a quote for N-allyl-4-[(4-chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-allyl-4-[(4-chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-allyl-4-[(4-chlorophenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.