BAS 11177912
TL;DR: BAS 11177912 (CAS 799776-55-9) is a chemical compound with molecular formula C18H13FN4OS and molecular weight 352.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-13-(2-fluorophenyl)-6-methyl-11-oxo-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene-5-carbonitrile
Also Known As: BAS 11177912, AB01276529-01, 2-amino-9-(2-fluorophenyl)-4-methyl-7-oxo-6,7,8,9-tetrahydrothieno[2,3-b:4,5-b']dipyridine-3-carbonitrile
| Molecular Formula | C18H13FN4OS |
|---|---|
| Molecular Weight | 352.08 g/mol |
| LogP | 3.6718 |
| Topological Polar Surface Area | 91.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 352.0794 |
| Heavy Atoms | 25 |
| Complexity | 1082.8501 |
Chemical Identifiers
| CAS Number | 799776-55-9 |
|---|---|
| SMILES | CC1=C(C(=NC2=C1SC3=C2C(CC(=O)N3)C4=CC=CC=C4F)N)C#N |
Product Overview
BAS 11177912 (CAS 799776-55-9), with molecular formula C18H13FN4OS and molecular weight 352.08 g/mol. IUPAC: 4-amino-13-(2-fluorophenyl)-6-methyl-11-oxo-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene-5-carbonitrile.
Chemical Property Profile of BAS 11177912
Property Insights of BAS 11177912
The XLogP value of 3.6718 indicates that BAS 11177912 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.8 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11177912. Following Lipinski's Rule of Five, BAS 11177912 has 2 hydrogen bond donor(s) and 5 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 11177912?
The CAS number of BAS 11177912 is 799776-55-9.
What is the molecular formula of BAS 11177912?
The molecular formula of BAS 11177912 is C18H13FN4OS.
What is the molecular weight of BAS 11177912?
The molecular weight of BAS 11177912 is 352.08 g/mol.
Where can I buy BAS 11177912?
You can request a quote for BAS 11177912 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11177912?
Yes, KEHONG BIO provides custom synthesis services for BAS 11177912 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.