C31H22ClNO6
TL;DR: C31H22ClNO6 (CAS 1039430-59-5) is a chemical compound with molecular formula C31H22ClNO6 and molecular weight 539.1136 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6-chloro-2-oxo-4-phenylchromen-7-yl) 2-phenyl-2-(phenylmethoxycarbonylamino)acetate
Also Known As: (6-chloro-2-oxo-4-phenyl-chromen-7-yl) 2-phenyl-2-phenylmethoxycarbonylamino-acetate, (6-chloro-2-oxo-4-phenylchromen-7-yl) 2-phenyl-2-(phenylmethoxycarbonylamino)acetate, 6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl {[(benzyloxy)carbonyl]amino}(phenyl)acetate, 6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-2-phenylacetate, C31H22ClNO6
Technical Specifications
| Molecular Formula | C31H22ClNO6 |
| Molecular Weight | 539.1136 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 539.1136 Da |
| Heavy Atoms | 39 |
| Complexity | 890.0 |
| SMILES | C1=CC=C(C=C1)COC(=O)NC(C2=CC=CC=C2)C(=O)OC3=C(C=C4C(=CC(=O)OC4=C3)C5=CC=CC=C5)Cl |
| InChIKey | LLOWFKAGXLWBHR-UHFFFAOYSA-N |
Chemical Property Profile of C31H22ClNO6
Property Insights of C31H22ClNO6
The XLogP value of 6.4 indicates that C31H22ClNO6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for C31H22ClNO6. Following Lipinski's Rule of Five, C31H22ClNO6 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C31H22ClNO6?
The CAS number of C31H22ClNO6 is 1039430-59-5.
What is the molecular formula of C31H22ClNO6?
The molecular formula of C31H22ClNO6 is C31H22ClNO6.
What is the molecular weight of C31H22ClNO6?
The molecular weight of C31H22ClNO6 is 539.1136 g/mol.
Where can I buy C31H22ClNO6?
You can request a quote for C31H22ClNO6 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C31H22ClNO6?
Yes, CoreyChem provides custom synthesis services for C31H22ClNO6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.