BAS 01108409
TL;DR: BAS 01108409 (CAS 311333-52-5) is a chemical compound with molecular formula C16H12ClN3O4 and molecular weight 345.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(2-chloro-5-nitrophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
Also Known As: BAS 01108409, 2-amino-4-(2-chloro-5-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, A1171/0054464, 2-amino-4-(2-chloro-5-nitrophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile, 2-amino-4-{2-chloro-5-nitrophenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
| Molecular Formula | C16H12ClN3O4 |
|---|---|
| Molecular Weight | 345.05 g/mol |
| LogP | 3.06298 |
| Topological Polar Surface Area | 119.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 345.05164 |
| Heavy Atoms | 24 |
| Complexity | 866.5638 |
Chemical Identifiers
| CAS Number | 311333-52-5 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(O2)N)C#N)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C(=O)C1 |
Product Overview
BAS 01108409 (CAS 311333-52-5), with molecular formula C16H12ClN3O4 and molecular weight 345.05 g/mol. IUPAC: 2-amino-4-(2-chloro-5-nitrophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile.
Chemical Property Profile of BAS 01108409
Property Insights of BAS 01108409
The XLogP value of 3.06298 indicates that BAS 01108409 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.25 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01108409. Following Lipinski's Rule of Five, BAS 01108409 has 1 hydrogen bond donor(s) and 6 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 01108409?
The CAS number of BAS 01108409 is 311333-52-5.
What is the molecular formula of BAS 01108409?
The molecular formula of BAS 01108409 is C16H12ClN3O4.
What is the molecular weight of BAS 01108409?
The molecular weight of BAS 01108409 is 345.05 g/mol.
Where can I buy BAS 01108409?
You can request a quote for BAS 01108409 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01108409?
Yes, KEHONG BIO provides custom synthesis services for BAS 01108409 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.