BIM-0039832.P001
TL;DR: BIM-0039832.P001 (CAS 5986-18-5) is a chemical compound with molecular formula C18H16IN3OS and molecular weight 449.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-iodophenyl)-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: BIM-0039832.P001, 4-(3-iodophenyl)-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide, 4-(3-iodophenyl)-6-methyl-N-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide, 4-(3-Iodophenyl)-6-methyl-N-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide, 4-(3-IODOPHENYL)-6-METHYL-N~5~-PHENYL-2-THIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXAMIDE
| Molecular Formula | C18H16IN3OS |
|---|---|
| Molecular Weight | 449.01 g/mol |
| LogP | 3.7227 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 449.0059 |
| Heavy Atoms | 24 |
| Complexity | 820.0234 |
Chemical Identifiers
| CAS Number | 5986-18-5 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)I)C(=O)NC3=CC=CC=C3 |
Product Overview
BIM-0039832.P001 (CAS 5986-18-5), with molecular formula C18H16IN3OS and molecular weight 449.01 g/mol. IUPAC: 4-(3-iodophenyl)-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of BIM-0039832.P001
Property Insights of BIM-0039832.P001
The XLogP value of 3.7227 indicates that BIM-0039832.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.16 Ų, BIM-0039832.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0039832.P001 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 BIM-0039832.P001?
The CAS number of BIM-0039832.P001 is 5986-18-5.
What is the molecular formula of BIM-0039832.P001?
The molecular formula of BIM-0039832.P001 is C18H16IN3OS.
What is the molecular weight of BIM-0039832.P001?
The molecular weight of BIM-0039832.P001 is 449.01 g/mol.
Where can I buy BIM-0039832.P001?
You can request a quote for BIM-0039832.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0039832.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0039832.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.