BAS 00648554
TL;DR: BAS 00648554 (CAS 304869-58-7) is a chemical compound with molecular formula C17H14N2O4 and molecular weight 310.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
Also Known As: BAS 00648554, BIM-0004982.P001, 2-amino-4-(1,3-benzodioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, 2-amino-4-(1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile, AE-848/36646033
| Molecular Formula | C17H14N2O4 |
|---|---|
| Molecular Weight | 310.10 g/mol |
| LogP | 2.23008 |
| Topological Polar Surface Area | 94.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 310.09537 |
| Heavy Atoms | 23 |
| Complexity | 816.37256 |
Chemical Identifiers
| CAS Number | 304869-58-7 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(O2)N)C#N)C3=CC4=C(C=C3)OCO4)C(=O)C1 |
Product Overview
BAS 00648554 (CAS 304869-58-7), with molecular formula C17H14N2O4 and molecular weight 310.10 g/mol. IUPAC: 2-amino-4-(1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile.
Chemical Property Profile of BAS 00648554
Property Insights of BAS 00648554
The XLogP value of 2.23008 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00648554. The TPSA of 94.57 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00648554. Following Lipinski's Rule of Five, BAS 00648554 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 00648554?
The CAS number of BAS 00648554 is 304869-58-7.
What is the molecular formula of BAS 00648554?
The molecular formula of BAS 00648554 is C17H14N2O4.
What is the molecular weight of BAS 00648554?
The molecular weight of BAS 00648554 is 310.10 g/mol.
Where can I buy BAS 00648554?
You can request a quote for BAS 00648554 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00648554?
Yes, KEHONG BIO provides custom synthesis services for BAS 00648554 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.