AH-487/41139806
TL;DR: AH-487/41139806 (CAS 444779-58-2) is a chemical compound with molecular formula C16H17ClN2O3S and molecular weight 352.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(4-butan-2-yloxy-3-chlorophenyl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: AH-487/41139806, 5-(4-sec-butoxy-3-chlorobenzylidene)-1-methyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione, (5E)-5-[4-(butan-2-yloxy)-3-chlorobenzylidene]-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5E)-5-[(4-butan-2-yloxy-3-chlorophenyl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C16H17ClN2O3S |
|---|---|
| Molecular Weight | 352.06 g/mol |
| LogP | 2.7738 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.06485 |
| Heavy Atoms | 23 |
| Complexity | 702.5658 |
Chemical Identifiers
| CAS Number | 444779-58-2 |
|---|---|
| SMILES | CCC(C)OC1=C(C=C(C=C1)/C=C/2\C(=O)NC(=S)N(C2=O)C)Cl |
Product Overview
AH-487/41139806 (CAS 444779-58-2), with molecular formula C16H17ClN2O3S and molecular weight 352.06 g/mol. IUPAC: (5E)-5-[(4-butan-2-yloxy-3-chlorophenyl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of AH-487/41139806
Property Insights of AH-487/41139806
The XLogP value of 2.7738 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AH-487/41139806. With a topological polar surface area (TPSA) of 58.64 Ų, AH-487/41139806 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AH-487/41139806 has 1 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 AH-487/41139806?
The CAS number of AH-487/41139806 is 444779-58-2.
What is the molecular formula of AH-487/41139806?
The molecular formula of AH-487/41139806 is C16H17ClN2O3S.
What is the molecular weight of AH-487/41139806?
The molecular weight of AH-487/41139806 is 352.06 g/mol.
Where can I buy AH-487/41139806?
You can request a quote for AH-487/41139806 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AH-487/41139806?
Yes, KEHONG BIO provides custom synthesis services for AH-487/41139806 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.