9L-712
TL;DR: 9L-712 (CAS 478261-81-3) is a chemical compound with molecular formula C18H14N2O3 and molecular weight 306.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(furan-2-yl)-5-oxo-2-pyrrol-1-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile
Also Known As: 9L-712, 4-(2-furyl)-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, 4-(furan-2-yl)-5-oxo-2-pyrrol-1-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile, 4-(furan-2-yl)-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
| Molecular Formula | C18H14N2O3 |
|---|---|
| Molecular Weight | 306.10 g/mol |
| LogP | 3.59438 |
| Topological Polar Surface Area | 68.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.10043 |
| Heavy Atoms | 23 |
| Complexity | 848.7238 |
Chemical Identifiers
| CAS Number | 478261-81-3 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(O2)N3C=CC=C3)C#N)C4=CC=CO4)C(=O)C1 |
Product Overview
9L-712 (CAS 478261-81-3), with molecular formula C18H14N2O3 and molecular weight 306.10 g/mol. IUPAC: 4-(furan-2-yl)-5-oxo-2-pyrrol-1-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile.
Chemical Property Profile of 9L-712
Property Insights of 9L-712
The XLogP value of 3.59438 indicates that 9L-712 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 9L-712. Following Lipinski's Rule of Five, 9L-712 has 0 hydrogen bond donor(s) and 4 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 9L-712?
The CAS number of 9L-712 is 478261-81-3.
What is the molecular formula of 9L-712?
The molecular formula of 9L-712 is C18H14N2O3.
What is the molecular weight of 9L-712?
The molecular weight of 9L-712 is 306.10 g/mol.
Where can I buy 9L-712?
You can request a quote for 9L-712 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9L-712?
Yes, KEHONG BIO provides custom synthesis services for 9L-712 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.