BAS 01108379
TL;DR: BAS 01108379 (CAS 311333-68-3) is a chemical compound with molecular formula C16H10BrFN2O3 and molecular weight 375.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(5-bromo-2-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile
Also Known As: BAS 01108379, 2-amino-4-(5-bromo-2-fluorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile, 2-amino-4-(5-bromo-2-fluorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[3,2-c]pyran-3-carbonitrile, 2-amino-4-(5-bromo-2-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile, A1173/0054511
| Molecular Formula | C16H10BrFN2O3 |
|---|---|
| Molecular Weight | 375.99 g/mol |
| LogP | 3.068 |
| Topological Polar Surface Area | 89.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 375.98587 |
| Heavy Atoms | 23 |
| Complexity | 943.31714 |
Chemical Identifiers
| CAS Number | 311333-68-3 |
|---|---|
| SMILES | CC1=CC2=C(C(C(=C(O2)N)C#N)C3=C(C=CC(=C3)Br)F)C(=O)O1 |
Product Overview
BAS 01108379 (CAS 311333-68-3), with molecular formula C16H10BrFN2O3 and molecular weight 375.99 g/mol. IUPAC: 2-amino-4-(5-bromo-2-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile.
Chemical Property Profile of BAS 01108379
Property Insights of BAS 01108379
The XLogP value of 3.068 indicates that BAS 01108379 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.25 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01108379. Following Lipinski's Rule of Five, BAS 01108379 has 1 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 01108379?
The CAS number of BAS 01108379 is 311333-68-3.
What is the molecular formula of BAS 01108379?
The molecular formula of BAS 01108379 is C16H10BrFN2O3.
What is the molecular weight of BAS 01108379?
The molecular weight of BAS 01108379 is 375.99 g/mol.
Where can I buy BAS 01108379?
You can request a quote for BAS 01108379 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01108379?
Yes, KEHONG BIO provides custom synthesis services for BAS 01108379 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.