AN-648/14354045
TL;DR: AN-648/14354045 (CAS 353509-46-3) is a chemical compound with molecular formula C21H21N3O4S and molecular weight 411.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-methyl-3-(4-methylphenyl)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: AN-648/14354045, (5E)-1-methyl-3-(4-methylphenyl)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, 1-methyl-3-(4-methylphenyl)-5-{[5-(4-morpholinyl)-2-furyl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
| Molecular Formula | C21H21N3O4S |
|---|---|
| Molecular Weight | 411.13 g/mol |
| LogP | 2.59812 |
| Topological Polar Surface Area | 66.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 411.12527 |
| Heavy Atoms | 29 |
| Complexity | 989.61005 |
Chemical Identifiers
| CAS Number | 353509-46-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(O3)N4CCOCC4)/C(=O)N(C2=S)C |
Product Overview
AN-648/14354045 (CAS 353509-46-3), with molecular formula C21H21N3O4S and molecular weight 411.13 g/mol. IUPAC: (5E)-1-methyl-3-(4-methylphenyl)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of AN-648/14354045
Property Insights of AN-648/14354045
The XLogP value of 2.59812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-648/14354045. The TPSA of 66.23 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-648/14354045. Following Lipinski's Rule of Five, AN-648/14354045 has 0 hydrogen bond donor(s) and 6 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-648/14354045?
The CAS number of AN-648/14354045 is 353509-46-3.
What is the molecular formula of AN-648/14354045?
The molecular formula of AN-648/14354045 is C21H21N3O4S.
What is the molecular weight of AN-648/14354045?
The molecular weight of AN-648/14354045 is 411.13 g/mol.
Where can I buy AN-648/14354045?
You can request a quote for AN-648/14354045 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-648/14354045?
Yes, KEHONG BIO provides custom synthesis services for AN-648/14354045 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.