AN-988/15132018
TL;DR: AN-988/15132018 (CAS 425683-92-7) is a chemical compound with molecular formula C24H17ClFN3O4S and molecular weight 497.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-[3-[(E)-[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoic acid
Also Known As: AN-988/15132018, 2-chloro-4-[3-[(E)-[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoic acid, 2-chloro-4-{3-[(1-(2-fluorophenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid, (E)-2-chloro-4-(3-((1-(2-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
| Molecular Formula | C24H17ClFN3O4S |
|---|---|
| Molecular Weight | 497.06 g/mol |
| LogP | 4.41614 |
| Topological Polar Surface Area | 91.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 497.06122 |
| Heavy Atoms | 34 |
| Complexity | 1429.5664 |
Chemical Identifiers
| CAS Number | 425683-92-7 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC(=C(C=C2)C(=O)O)Cl)C)/C=C/3\C(=O)NC(=S)N(C3=O)C4=CC=CC=C4F |
Product Overview
AN-988/15132018 (CAS 425683-92-7), with molecular formula C24H17ClFN3O4S and molecular weight 497.06 g/mol. IUPAC: 2-chloro-4-[3-[(E)-[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoic acid.
Chemical Property Profile of AN-988/15132018
Property Insights of AN-988/15132018
The XLogP value of 4.41614 indicates that AN-988/15132018 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.64 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-988/15132018. Following Lipinski's Rule of Five, AN-988/15132018 has 2 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 AN-988/15132018?
The CAS number of AN-988/15132018 is 425683-92-7.
What is the molecular formula of AN-988/15132018?
The molecular formula of AN-988/15132018 is C24H17ClFN3O4S.
What is the molecular weight of AN-988/15132018?
The molecular weight of AN-988/15132018 is 497.06 g/mol.
Where can I buy AN-988/15132018?
You can request a quote for AN-988/15132018 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-988/15132018?
Yes, KEHONG BIO provides custom synthesis services for AN-988/15132018 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.