Opera_ID_835
TL;DR: Opera_ID_835 (CAS 698977-48-9) is a chemical compound with molecular formula C17H14N2O5 and molecular weight 326.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-6-(hydroxymethyl)-4-(2-methoxyphenyl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carbonitrile
Also Known As: BAS 07415159, 2-amino-6-(hydroxymethyl)-4-(2-methoxyphenyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile, AB00582802-04, AM-807/41928773, F2720-0007
| Molecular Formula | C17H14N2O5 |
|---|---|
| Molecular Weight | 326.09 g/mol |
| LogP | 1.35888 |
| Topological Polar Surface Area | 118.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.09027 |
| Heavy Atoms | 24 |
| Complexity | 923.30865 |
Chemical Identifiers
| CAS Number | 698977-48-9 |
|---|---|
| SMILES | COC1=CC=CC=C1C2C(=C(OC3=C2OC(=CC3=O)CO)N)C#N |
Product Overview
Opera_ID_835 (CAS 698977-48-9), with molecular formula C17H14N2O5 and molecular weight 326.09 g/mol. IUPAC: 2-amino-6-(hydroxymethyl)-4-(2-methoxyphenyl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carbonitrile.
Chemical Property Profile of Opera_ID_835
Property Insights of Opera_ID_835
The XLogP value of 1.35888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Opera_ID_835. The TPSA of 118.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Opera_ID_835. Following Lipinski's Rule of Five, Opera_ID_835 has 2 hydrogen bond donor(s) and 7 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 Opera_ID_835?
The CAS number of Opera_ID_835 is 698977-48-9.
What is the molecular formula of Opera_ID_835?
The molecular formula of Opera_ID_835 is C17H14N2O5.
What is the molecular weight of Opera_ID_835?
The molecular weight of Opera_ID_835 is 326.09 g/mol.
Where can I buy Opera_ID_835?
You can request a quote for Opera_ID_835 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Opera_ID_835?
Yes, KEHONG BIO provides custom synthesis services for Opera_ID_835 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.