BAS 00639371
TL;DR: BAS 00639371 (CAS 331857-31-9) is a chemical compound with molecular formula C24H21BrN2O4 and molecular weight 480.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(5-bromo-2,4-dimethoxyphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
Also Known As: BAS 00639371, AB00079139-01, 2-amino-4-(5-bromo-2,4-dimethoxyphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile, 2-amino-4-(5-bromo-2,4-dimethoxyphenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, 2-amino-4-[5-bromo-2,4-bis(methyloxy)phenyl]-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
| Molecular Formula | C24H21BrN2O4 |
|---|---|
| Molecular Weight | 480.07 g/mol |
| LogP | 4.67478 |
| Topological Polar Surface Area | 94.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 480.06848 |
| Heavy Atoms | 31 |
| Complexity | 1148.1595 |
Chemical Identifiers
| CAS Number | 331857-31-9 |
|---|---|
| SMILES | COC1=CC(=C(C=C1C2C(=C(OC3=C2C(=O)CC(C3)C4=CC=CC=C4)N)C#N)Br)OC |
Product Overview
BAS 00639371 (CAS 331857-31-9), with molecular formula C24H21BrN2O4 and molecular weight 480.07 g/mol. IUPAC: 2-amino-4-(5-bromo-2,4-dimethoxyphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile.
Chemical Property Profile of BAS 00639371
Property Insights of BAS 00639371
The XLogP value of 4.67478 indicates that BAS 00639371 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.57 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00639371. Following Lipinski's Rule of Five, BAS 00639371 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 00639371?
The CAS number of BAS 00639371 is 331857-31-9.
What is the molecular formula of BAS 00639371?
The molecular formula of BAS 00639371 is C24H21BrN2O4.
What is the molecular weight of BAS 00639371?
The molecular weight of BAS 00639371 is 480.07 g/mol.
Where can I buy BAS 00639371?
You can request a quote for BAS 00639371 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00639371?
Yes, KEHONG BIO provides custom synthesis services for BAS 00639371 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.