BIM-0003884.P001
TL;DR: BIM-0003884.P001 (CAS 331981-76-1) is a chemical compound with molecular formula C15H16N2O4S and molecular weight 320.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-ethoxycarbonyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid
Also Known As: BIM-0003884.P001, J2.107.484E, 4-(5-(ethoxycarbonyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-4-yl)benzoic acid, 4-(5-ethoxycarbonyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid, 4-[5-(ethoxycarbonyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-4-yl]benzoic acid
| Molecular Formula | C15H16N2O4S |
|---|---|
| Molecular Weight | 320.08 g/mol |
| LogP | 1.7407 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.08307 |
| Heavy Atoms | 22 |
| Complexity | 652.0112 |
Chemical Identifiers
| CAS Number | 331981-76-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)C(=O)O)C |
Product Overview
BIM-0003884.P001 (CAS 331981-76-1), with molecular formula C15H16N2O4S and molecular weight 320.08 g/mol. IUPAC: 4-(5-ethoxycarbonyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)benzoic acid.
Chemical Property Profile of BIM-0003884.P001
Property Insights of BIM-0003884.P001
The XLogP value of 1.7407 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0003884.P001. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0003884.P001. Following Lipinski's Rule of Five, BIM-0003884.P001 has 3 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 BIM-0003884.P001?
The CAS number of BIM-0003884.P001 is 331981-76-1.
What is the molecular formula of BIM-0003884.P001?
The molecular formula of BIM-0003884.P001 is C15H16N2O4S.
What is the molecular weight of BIM-0003884.P001?
The molecular weight of BIM-0003884.P001 is 320.08 g/mol.
Where can I buy BIM-0003884.P001?
You can request a quote for BIM-0003884.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0003884.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0003884.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.