AH-487/41185710
TL;DR: AH-487/41185710 (CAS 444785-86-8) is a chemical compound with molecular formula C21H12ClFN2O3S2 and molecular weight 458.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-1-(3-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: AH-487/41185710, (5E)-5-({5-[(4-chlorophenyl)sulfanyl]furan-2-yl}methylidene)-1-(3-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-1-(3-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-({5-[(4-chlorophenyl)sulfanyl]-2-furyl}methylene)-1-(3-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C21H12ClFN2O3S2 |
|---|---|
| Molecular Weight | 458.00 g/mol |
| LogP | 5.0546 |
| Topological Polar Surface Area | 62.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 457.9962 |
| Heavy Atoms | 30 |
| Complexity | 1190.9719 |
Chemical Identifiers
| CAS Number | 444785-86-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)N2C(=O)/C(=C/C3=CC=C(O3)SC4=CC=C(C=C4)Cl)/C(=O)NC2=S |
Product Overview
AH-487/41185710 (CAS 444785-86-8), with molecular formula C21H12ClFN2O3S2 and molecular weight 458.00 g/mol. IUPAC: (5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-1-(3-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of AH-487/41185710
Property Insights of AH-487/41185710
The XLogP value of 5.0546 indicates that AH-487/41185710 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.55 Ų falls within the moderate polarity range, balancing permeability and solubility for AH-487/41185710. Following Lipinski's Rule of Five, AH-487/41185710 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AH-487/41185710?
The CAS number of AH-487/41185710 is 444785-86-8.
What is the molecular formula of AH-487/41185710?
The molecular formula of AH-487/41185710 is C21H12ClFN2O3S2.
What is the molecular weight of AH-487/41185710?
The molecular weight of AH-487/41185710 is 458.00 g/mol.
Where can I buy AH-487/41185710?
You can request a quote for AH-487/41185710 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AH-487/41185710?
Yes, KEHONG BIO provides custom synthesis services for AH-487/41185710 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.