BAS 00639344
TL;DR: BAS 00639344 (CAS 5282-43-9) is a chemical compound with molecular formula C23H18N2O4 and molecular weight 386.13 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-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
Also Known As: BAS 00639344, 2-amino-4-(1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile, A2310/0097426, 2-amino-4-(1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, 2-Amino-4-(2H-1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
| Molecular Formula | C23H18N2O4 |
|---|---|
| Molecular Weight | 386.13 g/mol |
| LogP | 3.62378 |
| Topological Polar Surface Area | 94.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 386.12665 |
| Heavy Atoms | 29 |
| Complexity | 1111.4429 |
Chemical Identifiers
| CAS Number | 5282-43-9 |
|---|---|
| SMILES | C1C(CC(=O)C2=C1OC(=C(C2C3=CC4=C(C=C3)OCO4)C#N)N)C5=CC=CC=C5 |
Product Overview
BAS 00639344 (CAS 5282-43-9), with molecular formula C23H18N2O4 and molecular weight 386.13 g/mol. IUPAC: 2-amino-4-(1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile.
Chemical Property Profile of BAS 00639344
Property Insights of BAS 00639344
The XLogP value of 3.62378 indicates that BAS 00639344 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 00639344. Following Lipinski's Rule of Five, BAS 00639344 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 00639344?
The CAS number of BAS 00639344 is 5282-43-9.
What is the molecular formula of BAS 00639344?
The molecular formula of BAS 00639344 is C23H18N2O4.
What is the molecular weight of BAS 00639344?
The molecular weight of BAS 00639344 is 386.13 g/mol.
Where can I buy BAS 00639344?
You can request a quote for BAS 00639344 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00639344?
Yes, KEHONG BIO provides custom synthesis services for BAS 00639344 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.