BAS 00747055
TL;DR: BAS 00747055 (CAS 301195-22-2) is a chemical compound with molecular formula C16H11BrN2O3 and molecular weight 358.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(2-bromophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile
Also Known As: BAS 00747055, AB00079094-01, 2-amino-4-(2-bromophenyl)-7-methyl-5-oxo-4,5-dihydropyrano[4,3-b]pyran-3-carbonitrile, F2596-0050, 2-amino-4-(2-bromophenyl)-7-methyl-5-oxo-4H,5H-pyrano[3,2-c]pyran-3-carbonitrile
| Molecular Formula | C16H11BrN2O3 |
|---|---|
| Molecular Weight | 358.00 g/mol |
| LogP | 2.9289 |
| Topological Polar Surface Area | 89.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 357.9953 |
| Heavy Atoms | 22 |
| Complexity | 892.99445 |
Chemical Identifiers
| CAS Number | 301195-22-2 |
|---|---|
| SMILES | CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC=CC=C3Br)C(=O)O1 |
Product Overview
BAS 00747055 (CAS 301195-22-2), with molecular formula C16H11BrN2O3 and molecular weight 358.00 g/mol. IUPAC: 2-amino-4-(2-bromophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile.
Chemical Property Profile of BAS 00747055
Property Insights of BAS 00747055
The XLogP value of 2.9289 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00747055. The TPSA of 89.25 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00747055. Following Lipinski's Rule of Five, BAS 00747055 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 00747055?
The CAS number of BAS 00747055 is 301195-22-2.
What is the molecular formula of BAS 00747055?
The molecular formula of BAS 00747055 is C16H11BrN2O3.
What is the molecular weight of BAS 00747055?
The molecular weight of BAS 00747055 is 358.00 g/mol.
Where can I buy BAS 00747055?
You can request a quote for BAS 00747055 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00747055?
Yes, KEHONG BIO provides custom synthesis services for BAS 00747055 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.