AB00682700-01
TL;DR: AB00682700-01 (CAS 1009505-67-2) is a chemical compound with molecular formula C12H13F3N2O3S and molecular weight 322.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-4-hydroxy-6-(3-methylthiophen-2-yl)-4-(trifluoromethyl)-1,3-diazinan-2-one
Also Known As: AB00682700-01, AP-906/41927836, 5-Acetyltetrahydro-4-hydroxy-6-(3-methyl-2-thienyl)-4-(trifluoromethyl)-2(1H)-pyrimidinone, 5-acetyl-4-hydroxy-6-(3-methylthiophen-2-yl)-4-(trifluoromethyl)-1,3-diazinan-2-one, 5-acetyl-4-hydroxy-6-(3-methylthiophen-2-yl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one
| Molecular Formula | C12H13F3N2O3S |
|---|---|
| Molecular Weight | 322.06 g/mol |
| LogP | 1.86652 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.0599 |
| Heavy Atoms | 21 |
| Complexity | 586.5479 |
Chemical Identifiers
| CAS Number | 1009505-67-2 |
|---|---|
| SMILES | CC1=C(SC=C1)C2C(C(NC(=O)N2)(C(F)(F)F)O)C(=O)C |
Product Overview
AB00682700-01 (CAS 1009505-67-2), with molecular formula C12H13F3N2O3S and molecular weight 322.06 g/mol. IUPAC: 5-acetyl-4-hydroxy-6-(3-methylthiophen-2-yl)-4-(trifluoromethyl)-1,3-diazinan-2-one.
Chemical Property Profile of AB00682700-01
Property Insights of AB00682700-01
The XLogP value of 1.86652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00682700-01. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00682700-01. Following Lipinski's Rule of Five, AB00682700-01 has 3 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 AB00682700-01?
The CAS number of AB00682700-01 is 1009505-67-2.
What is the molecular formula of AB00682700-01?
The molecular formula of AB00682700-01 is C12H13F3N2O3S.
What is the molecular weight of AB00682700-01?
The molecular weight of AB00682700-01 is 322.06 g/mol.
Where can I buy AB00682700-01?
You can request a quote for AB00682700-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00682700-01?
Yes, KEHONG BIO provides custom synthesis services for AB00682700-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.