F0918-6945
TL;DR: F0918-6945 (CAS 689772-68-7) is a chemical compound with molecular formula C12H10N2O4S2 and molecular weight 310.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-amino-3-(1,3-benzodioxol-5-yl)-2-sulfanylidene-1,3-thiazole-5-carboxylate
Also Known As: F0918-6945, methyl 4-amino-3-(benzo[d][1,3]dioxol-5-yl)-2-thioxo-2,3-dihydrothiazole-5-carboxylate, methyl 4-amino-3-(2H-1,3-benzodioxol-5-yl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate, methyl 4-amino-3-(1,3-benzodioxol-5-yl)-2-sulfanylidene-1,3-thiazole-5-carboxylate, Methyl 4-amino-3-benzo[1,3]dioxol-5-yl-2-sulfanylidene-1,3-thiazole-5-carboxylate
| Molecular Formula | C12H10N2O4S2 |
|---|---|
| Molecular Weight | 310.01 g/mol |
| LogP | 2.36579 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.0082 |
| Heavy Atoms | 20 |
| Complexity | 750.401 |
Chemical Identifiers
| CAS Number | 689772-68-7 |
|---|---|
| SMILES | COC(=O)C1=C(N(C(=S)S1)C2=CC3=C(C=C2)OCO3)N |
Product Overview
F0918-6945 (CAS 689772-68-7), with molecular formula C12H10N2O4S2 and molecular weight 310.01 g/mol. IUPAC: methyl 4-amino-3-(1,3-benzodioxol-5-yl)-2-sulfanylidene-1,3-thiazole-5-carboxylate.
Chemical Property Profile of F0918-6945
Property Insights of F0918-6945
The XLogP value of 2.36579 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0918-6945. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for F0918-6945. Following Lipinski's Rule of Five, F0918-6945 has 1 hydrogen bond donor(s) and 7 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 F0918-6945?
The CAS number of F0918-6945 is 689772-68-7.
What is the molecular formula of F0918-6945?
The molecular formula of F0918-6945 is C12H10N2O4S2.
What is the molecular weight of F0918-6945?
The molecular weight of F0918-6945 is 310.01 g/mol.
Where can I buy F0918-6945?
You can request a quote for F0918-6945 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0918-6945?
Yes, KEHONG BIO provides custom synthesis services for F0918-6945 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.