BAS 01095345
TL;DR: BAS 01095345 (CAS 336177-10-7) is a chemical compound with molecular formula C13H10F3N3O3 and molecular weight 313.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-5-[[3-(trifluoromethyl)phenyl]methyliminomethyl]-1H-pyrimidine-2,4-dione
Also Known As: BAS 01095345, 5-({[3-(trifluoromethyl)benzyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, 5-[(3-Trifluoromethyl-benzylamino)-methylene]-pyrimidine-2,4,6-trione, 5-(((3-(trifluoromethyl)benzyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione, 5-[[[3-(trifluoromethyl)phenyl]methylamino]methylidene]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C13H10F3N3O3 |
|---|---|
| Molecular Weight | 313.07 g/mol |
| LogP | 1.4067 |
| Topological Polar Surface Area | 98.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.0674 |
| Heavy Atoms | 22 |
| Complexity | 821.50073 |
Chemical Identifiers
| CAS Number | 336177-10-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CN=CC2=C(NC(=O)NC2=O)O |
Product Overview
BAS 01095345 (CAS 336177-10-7), with molecular formula C13H10F3N3O3 and molecular weight 313.07 g/mol. IUPAC: 6-hydroxy-5-[[3-(trifluoromethyl)phenyl]methyliminomethyl]-1H-pyrimidine-2,4-dione.
Chemical Property Profile of BAS 01095345
Property Insights of BAS 01095345
The XLogP value of 1.4067 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01095345. The TPSA of 98.31 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01095345. Following Lipinski's Rule of Five, BAS 01095345 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 BAS 01095345?
The CAS number of BAS 01095345 is 336177-10-7.
What is the molecular formula of BAS 01095345?
The molecular formula of BAS 01095345 is C13H10F3N3O3.
What is the molecular weight of BAS 01095345?
The molecular weight of BAS 01095345 is 313.07 g/mol.
Where can I buy BAS 01095345?
You can request a quote for BAS 01095345 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01095345?
Yes, KEHONG BIO provides custom synthesis services for BAS 01095345 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.