BAS 05023812
TL;DR: BAS 05023812 (CAS 519170-67-3) is a chemical compound with molecular formula C12H10F3N7O3S and molecular weight 389.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
Also Known As: BAS 05023812, 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide, 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide, 2-(1,3-dimethyl-2,6-dioxo(1,3,7-trihydropurin-7-yl))-N-[5-(trifluoromethyl)(1, 3,4-thiadiazol-2-yl)]acetamide
| Molecular Formula | C12H10F3N7O3S |
|---|---|
| Molecular Weight | 389.05 g/mol |
| LogP | -0.0573 |
| Topological Polar Surface Area | 116.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 389.0518 |
| Heavy Atoms | 26 |
| Complexity | 1123.9648 |
Chemical Identifiers
| CAS Number | 519170-67-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=NN=C(S3)C(F)(F)F |
Product Overview
BAS 05023812 (CAS 519170-67-3), with molecular formula C12H10F3N7O3S and molecular weight 389.05 g/mol. IUPAC: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.
Chemical Property Profile of BAS 05023812
Property Insights of BAS 05023812
The XLogP value of -0.0573 indicates that BAS 05023812 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 116.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05023812. Following Lipinski's Rule of Five, BAS 05023812 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 BAS 05023812?
The CAS number of BAS 05023812 is 519170-67-3.
What is the molecular formula of BAS 05023812?
The molecular formula of BAS 05023812 is C12H10F3N7O3S.
What is the molecular weight of BAS 05023812?
The molecular weight of BAS 05023812 is 389.05 g/mol.
Where can I buy BAS 05023812?
You can request a quote for BAS 05023812 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05023812?
Yes, KEHONG BIO provides custom synthesis services for BAS 05023812 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.