BAS 00758640
TL;DR: BAS 00758640 (CAS 85459-85-4) is a chemical compound with molecular formula C16H16N2O3 and molecular weight 284.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(furan-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
Also Known As: BAS 00758640, 2-amino-4-(2-furyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, 2-amino-4-(furan-2-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, 2-amino-4-(furan-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile, J1.881.500A
| Molecular Formula | C16H16N2O3 |
|---|---|
| Molecular Weight | 284.12 g/mol |
| LogP | 2.73048 |
| Topological Polar Surface Area | 89.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 284.1161 |
| Heavy Atoms | 21 |
| Complexity | 702.38055 |
Chemical Identifiers
| CAS Number | 85459-85-4 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC=CO3)C(=O)C1)C |
Product Overview
BAS 00758640 (CAS 85459-85-4), with molecular formula C16H16N2O3 and molecular weight 284.12 g/mol. IUPAC: 2-amino-4-(furan-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile.
Chemical Property Profile of BAS 00758640
Property Insights of BAS 00758640
The XLogP value of 2.73048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00758640. The TPSA of 89.25 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00758640. Following Lipinski's Rule of Five, BAS 00758640 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 00758640?
The CAS number of BAS 00758640 is 85459-85-4.
What is the molecular formula of BAS 00758640?
The molecular formula of BAS 00758640 is C16H16N2O3.
What is the molecular weight of BAS 00758640?
The molecular weight of BAS 00758640 is 284.12 g/mol.
Where can I buy BAS 00758640?
You can request a quote for BAS 00758640 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00758640?
Yes, KEHONG BIO provides custom synthesis services for BAS 00758640 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.