VU0047971-1
TL;DR: VU0047971-1 (CAS 694463-85-9) is a chemical compound with molecular formula C18H15BrFN3OS and molecular weight 419.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-bromophenyl)-N-(2-fluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: VU0047971-1, F1411-0419, 4-(3-bromophenyl)-N-(2-fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide, 4-(3-bromophenyl)-N-(2-fluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide, 4-(3-bromophenyl)-N-(2-fluorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
| Molecular Formula | C18H15BrFN3OS |
|---|---|
| Molecular Weight | 419.01 g/mol |
| LogP | 4.0197 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.0103 |
| Heavy Atoms | 25 |
| Complexity | 884.1298 |
Chemical Identifiers
| CAS Number | 694463-85-9 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)Br)C(=O)NC3=CC=CC=C3F |
Product Overview
VU0047971-1 (CAS 694463-85-9), with molecular formula C18H15BrFN3OS and molecular weight 419.01 g/mol. IUPAC: 4-(3-bromophenyl)-N-(2-fluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of VU0047971-1
Property Insights of VU0047971-1
The XLogP value of 4.0197 indicates that VU0047971-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.16 Ų, VU0047971-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VU0047971-1 has 3 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 VU0047971-1?
The CAS number of VU0047971-1 is 694463-85-9.
What is the molecular formula of VU0047971-1?
The molecular formula of VU0047971-1 is C18H15BrFN3OS.
What is the molecular weight of VU0047971-1?
The molecular weight of VU0047971-1 is 419.01 g/mol.
Where can I buy VU0047971-1?
You can request a quote for VU0047971-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0047971-1?
Yes, KEHONG BIO provides custom synthesis services for VU0047971-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.