BAS 06901217
TL;DR: BAS 06901217 (CAS 625376-62-7) is a chemical compound with molecular formula C13H8F3N3O2S and molecular weight 327.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-cyclopropyl-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione
Also Known As: BAS 06901217, 7-cyclopropyl-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-2,4-diol, 2-Cyclopropyl-4-trifluoromethyl-9-thia-1,5,7-triaza-fluorene-6,8-diol, 7-cyclopropyl-9-(trifluoromethyl)pyrimidino[4',5'-5,4]thiopheno[2,3-b]pyridine -2,4-diol, 7-cyclopropyl-4-hydroxy-9-(trifluoromethyl)hydropyrimidino[4',5'-5,4]thiopheno [2,3-b]pyridin-2-one
| Molecular Formula | C13H8F3N3O2S |
|---|---|
| Molecular Weight | 327.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 99.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 327.02893 |
| Heavy Atoms | 22 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 625376-62-7 |
|---|---|
| SMILES | C1CC1C2=NC3=C(C(=C2)C(F)(F)F)C4=C(S3)C(=O)NC(=O)N4 |
| InChIKey | YXFMOXFCDGMHDA-UHFFFAOYSA-N |
Product Overview
BAS 06901217 (CAS 625376-62-7), with molecular formula C13H8F3N3O2S and molecular weight 327.03 g/mol. IUPAC: 11-cyclopropyl-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione.
Chemical Property Profile of BAS 06901217
Property Insights of BAS 06901217
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 06901217. The TPSA of 99.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06901217. Following Lipinski's Rule of Five, BAS 06901217 has 2 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 06901217?
The CAS number of BAS 06901217 is 625376-62-7.
What is the molecular formula of BAS 06901217?
The molecular formula of BAS 06901217 is C13H8F3N3O2S.
What is the molecular weight of BAS 06901217?
The molecular weight of BAS 06901217 is 327.03 g/mol.
Where can I buy BAS 06901217?
You can request a quote for BAS 06901217 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06901217?
Yes, KEHONG BIO provides custom synthesis services for BAS 06901217 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.