TimTec1_005298
TL;DR: TimTec1_005298 (CAS 299440-47-4) 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-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
Also Known As: TimTec1_005298, BAS 02073016, 2-amino-4-(furan-3-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, A1172/0054467, 2-amino-4-(furan-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
| 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 | 299440-47-4 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(O2)N)C#N)C3=COC=C3)C(=O)C1)C |
Product Overview
TimTec1_005298 (CAS 299440-47-4), with molecular formula C16H16N2O3 and molecular weight 284.12 g/mol. IUPAC: 2-amino-4-(furan-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile.
Chemical Property Profile of TimTec1_005298
Property Insights of TimTec1_005298
The XLogP value of 2.73048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TimTec1_005298. The TPSA of 89.25 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_005298. Following Lipinski's Rule of Five, TimTec1_005298 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 TimTec1_005298?
The CAS number of TimTec1_005298 is 299440-47-4.
What is the molecular formula of TimTec1_005298?
The molecular formula of TimTec1_005298 is C16H16N2O3.
What is the molecular weight of TimTec1_005298?
The molecular weight of TimTec1_005298 is 284.12 g/mol.
Where can I buy TimTec1_005298?
You can request a quote for TimTec1_005298 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_005298?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_005298 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.