BIM-0040965.P001
TL;DR: BIM-0040965.P001 (CAS 6021-92-7) is a chemical compound with molecular formula C22H13ClN2O5S and molecular weight 452.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[(E)-[1-(4-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid
Also Known As: BIM-0040965.P001, (E)-2-(5-((1-(4-chlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid, 2-(5-{[1-(4-chlorophenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-2-furyl)benzoic acid, 2-(5-{(E)-[1-(4-chlorophenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}furan-2-yl)benzoic acid, 2-(5-{[1-(4-chlorophenyl)-4,6-dioxo-2-thioxo-1,3-dihydropyrimidin-5-ylidene]me thyl}-2-furyl)benzoic acid
| Molecular Formula | C22H13ClN2O5S |
|---|---|
| Molecular Weight | 452.02 g/mol |
| LogP | 4.1295 |
| Topological Polar Surface Area | 99.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 452.02338 |
| Heavy Atoms | 31 |
| Complexity | 1262.9155 |
Chemical Identifiers
| CAS Number | 6021-92-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=CC=C(O2)/C=C/3\C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)Cl)C(=O)O |
Product Overview
BIM-0040965.P001 (CAS 6021-92-7), with molecular formula C22H13ClN2O5S and molecular weight 452.02 g/mol. IUPAC: 2-[5-[(E)-[1-(4-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid.
Chemical Property Profile of BIM-0040965.P001
Property Insights of BIM-0040965.P001
The XLogP value of 4.1295 indicates that BIM-0040965.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.85 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0040965.P001. Following Lipinski's Rule of Five, BIM-0040965.P001 has 2 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 BIM-0040965.P001?
The CAS number of BIM-0040965.P001 is 6021-92-7.
What is the molecular formula of BIM-0040965.P001?
The molecular formula of BIM-0040965.P001 is C22H13ClN2O5S.
What is the molecular weight of BIM-0040965.P001?
The molecular weight of BIM-0040965.P001 is 452.02 g/mol.
Where can I buy BIM-0040965.P001?
You can request a quote for BIM-0040965.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0040965.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0040965.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.