(6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 2-phenyl-2-phenylmethoxycarbonylamino-acetate
TL;DR: (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 2-phenyl-2-phenylmethoxycarbonylamino-acetate (CAS 1039450-63-9) is a chemical compound with molecular formula C27H22ClNO6 and molecular weight 491.11356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6-chloro-3,4-dimethyl-2-oxochromen-7-yl) 2-phenyl-2-(phenylmethoxycarbonylamino)acetate
Also Known As: (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 2-phenyl-2-phenylmethoxycarbonylamino-acetate, (6-chloro-3,4-dimethyl-2-oxochromen-7-yl) 2-phenyl-2-(phenylmethoxycarbonylamino)acetate, 6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl {[(benzyloxy)carbonyl]amino}(phenyl)acetate, 6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-2-phenylacetate
Technical Specifications
| Molecular Formula | C27H22ClNO6 |
| Molecular Weight | 491.11356 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 491.11356 Da |
| Heavy Atoms | 35 |
| Complexity | 816.0 |
| SMILES | CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)C |
| InChIKey | BXMDSCCWHIZZGQ-UHFFFAOYSA-N |
Chemical Property Profile of (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 2-phenyl-2-phenylmethoxycarbonylamino-acetate
Property Insights of (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 2-phenyl-2-phenylmethoxycarbonylamino-acetate
The XLogP value of 5.5 indicates that (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 2-phenyl-2-phenylmethoxycarbonylamino-acetate 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 (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 2-phenyl-2-phenylmethoxycarbonylamino-acetate. Following Lipinski's Rule of Five, (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 2-phenyl-2-phenylmethoxycarbonylamino-acetate 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 (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 2-phenyl-2-phenylmethoxycarbonylamino-acetate?
The CAS number of (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 2-phenyl-2-phenylmethoxycarbonylamino-acetate is 1039450-63-9.
What is the molecular formula of (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 2-phenyl-2-phenylmethoxycarbonylamino-acetate?
The molecular formula of (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 2-phenyl-2-phenylmethoxycarbonylamino-acetate is C27H22ClNO6.
What is the molecular weight of (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 2-phenyl-2-phenylmethoxycarbonylamino-acetate?
The molecular weight of (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 2-phenyl-2-phenylmethoxycarbonylamino-acetate is 491.11356 g/mol.
Where can I buy (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 2-phenyl-2-phenylmethoxycarbonylamino-acetate?
You can request a quote for (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 2-phenyl-2-phenylmethoxycarbonylamino-acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 2-phenyl-2-phenylmethoxycarbonylamino-acetate?
Yes, CoreyChem provides custom synthesis services for (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 2-phenyl-2-phenylmethoxycarbonylamino-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.