AN-988/15131091
TL;DR: AN-988/15131091 (CAS 428450-96-8) is a chemical compound with molecular formula C22H16ClN3O2S and molecular weight 421.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-1-(3-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: AN-988/15131091, (5E)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-1-(3-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-1-(3-methylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylene}-1-(3-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
| Molecular Formula | C22H16ClN3O2S |
|---|---|
| Molecular Weight | 421.07 g/mol |
| LogP | 4.27042 |
| Topological Polar Surface Area | 54.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 421.0652 |
| Heavy Atoms | 29 |
| Complexity | 1164.8103 |
Chemical Identifiers
| CAS Number | 428450-96-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)/C(=C/C3=CC=CN3C4=CC=C(C=C4)Cl)/C(=O)NC2=S |
Product Overview
AN-988/15131091 (CAS 428450-96-8), with molecular formula C22H16ClN3O2S and molecular weight 421.07 g/mol. IUPAC: (5E)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-1-(3-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of AN-988/15131091
Property Insights of AN-988/15131091
The XLogP value of 4.27042 indicates that AN-988/15131091 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.34 Ų, AN-988/15131091 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-988/15131091 has 1 hydrogen bond donor(s) and 3 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-988/15131091?
The CAS number of AN-988/15131091 is 428450-96-8.
What is the molecular formula of AN-988/15131091?
The molecular formula of AN-988/15131091 is C22H16ClN3O2S.
What is the molecular weight of AN-988/15131091?
The molecular weight of AN-988/15131091 is 421.07 g/mol.
Where can I buy AN-988/15131091?
You can request a quote for AN-988/15131091 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-988/15131091?
Yes, KEHONG BIO provides custom synthesis services for AN-988/15131091 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.