AB00121431-01
TL;DR: AB00121431-01 (CAS 432541-48-5) is a chemical compound with molecular formula C24H19FN2O4S and molecular weight 450.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-1-(4-fluorophenyl)-5-[(3-methoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: AB00121431-01, AH-487/40935814, (5Z)-1-(4-fluorophenyl)-5-[(3-methoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5Z)-1-(4-fluorophenyl)-5-[3-methoxy-5-(prop-2-en-1-yl)-4-(prop-2-yn-1-yloxy)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[3-allyl-5-methoxy-4-(2-propynyloxy)benzylidene]-1-(4-fluorophenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
| Molecular Formula | C24H19FN2O4S |
|---|---|
| Molecular Weight | 450.10 g/mol |
| LogP | 3.4061 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 450.10495 |
| Heavy Atoms | 32 |
| Complexity | 1165.7571 |
Chemical Identifiers
| CAS Number | 432541-48-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OCC#C)CC=C)/C=C\2/C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)F |
Product Overview
AB00121431-01 (CAS 432541-48-5), with molecular formula C24H19FN2O4S and molecular weight 450.10 g/mol. IUPAC: (5Z)-1-(4-fluorophenyl)-5-[(3-methoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of AB00121431-01
Property Insights of AB00121431-01
The XLogP value of 3.4061 indicates that AB00121431-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00121431-01. Following Lipinski's Rule of Five, AB00121431-01 has 1 hydrogen bond donor(s) and 5 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 AB00121431-01?
The CAS number of AB00121431-01 is 432541-48-5.
What is the molecular formula of AB00121431-01?
The molecular formula of AB00121431-01 is C24H19FN2O4S.
What is the molecular weight of AB00121431-01?
The molecular weight of AB00121431-01 is 450.10 g/mol.
Where can I buy AB00121431-01?
You can request a quote for AB00121431-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00121431-01?
Yes, KEHONG BIO provides custom synthesis services for AB00121431-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.