BAS 04893731
TL;DR: BAS 04893731 (CAS 377761-68-7) is a chemical compound with molecular formula C17H13FN4S and molecular weight 324.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-fluorophenyl)-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Also Known As: BAS 04893731, 2-(4-fluorophenyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 2-(4-fluorophenyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C17H13FN4S |
|---|---|
| Molecular Weight | 324.08 g/mol |
| LogP | 4.0239 |
| Topological Polar Surface Area | 43.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 324.0845 |
| Heavy Atoms | 23 |
| Complexity | 1032.2992 |
Chemical Identifiers
| CAS Number | 377761-68-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=CN4C3=NC(=N4)C5=CC=C(C=C5)F |
Product Overview
BAS 04893731 (CAS 377761-68-7), with molecular formula C17H13FN4S and molecular weight 324.08 g/mol. IUPAC: 4-(4-fluorophenyl)-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
Chemical Property Profile of BAS 04893731
Property Insights of BAS 04893731
The XLogP value of 4.0239 indicates that BAS 04893731 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.08 Ų, BAS 04893731 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 04893731 has 0 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 04893731?
The CAS number of BAS 04893731 is 377761-68-7.
What is the molecular formula of BAS 04893731?
The molecular formula of BAS 04893731 is C17H13FN4S.
What is the molecular weight of BAS 04893731?
The molecular weight of BAS 04893731 is 324.08 g/mol.
Where can I buy BAS 04893731?
You can request a quote for BAS 04893731 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04893731?
Yes, KEHONG BIO provides custom synthesis services for BAS 04893731 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.