BAS 00639182
TL;DR: BAS 00639182 (CAS 331856-54-3) is a chemical compound with molecular formula C17H15BrN2O2 and molecular weight 358.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(4-bromophenyl)-7-methyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
Also Known As: BAS 00639182, AB00078614-01, 2-amino-4-(4-bromophenyl)-7-methyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile, 2-amino-4-(4-bromophenyl)-7-methyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
| Molecular Formula | C17H15BrN2O2 |
|---|---|
| Molecular Weight | 358.03 g/mol |
| LogP | 3.50988 |
| Topological Polar Surface Area | 76.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 358.03168 |
| Heavy Atoms | 22 |
| Complexity | 740.9176 |
Chemical Identifiers
| CAS Number | 331856-54-3 |
|---|---|
| SMILES | CC1CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)Br)C(=O)C1 |
Product Overview
BAS 00639182 (CAS 331856-54-3), with molecular formula C17H15BrN2O2 and molecular weight 358.03 g/mol. IUPAC: 2-amino-4-(4-bromophenyl)-7-methyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile.
Chemical Property Profile of BAS 00639182
Property Insights of BAS 00639182
The XLogP value of 3.50988 indicates that BAS 00639182 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.11 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00639182. Following Lipinski's Rule of Five, BAS 00639182 has 1 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 00639182?
The CAS number of BAS 00639182 is 331856-54-3.
What is the molecular formula of BAS 00639182?
The molecular formula of BAS 00639182 is C17H15BrN2O2.
What is the molecular weight of BAS 00639182?
The molecular weight of BAS 00639182 is 358.03 g/mol.
Where can I buy BAS 00639182?
You can request a quote for BAS 00639182 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00639182?
Yes, KEHONG BIO provides custom synthesis services for BAS 00639182 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.