(4-butyl-6-chloro-2-oxo-chromen-7-yl) 2-phenyl-2-phenylmethoxycarbonylamino-acetate
TL;DR: (4-butyl-6-chloro-2-oxo-chromen-7-yl) 2-phenyl-2-phenylmethoxycarbonylamino-acetate (CAS 1038790-72-5) is a chemical compound with molecular formula C29H26ClNO6 and molecular weight 519.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-butyl-6-chloro-2-oxochromen-7-yl) 2-phenyl-2-(phenylmethoxycarbonylamino)acetate
Also Known As: (4-butyl-6-chloro-2-oxo-chromen-7-yl) 2-phenyl-2-phenylmethoxycarbonylamino-acetate, (4-butyl-6-chloro-2-oxochromen-7-yl) 2-phenyl-2-(phenylmethoxycarbonylamino)acetate, 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl {[(benzyloxy)carbonyl]amino}(phenyl)acetate, 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-2-phenylacetate
| Molecular Formula | C29H26ClNO6 |
|---|---|
| Molecular Weight | 519.14 g/mol |
| LogP | 6.3621 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 519.14484 |
| Heavy Atoms | 37 |
| Complexity | 1435.7582 |
Chemical Identifiers
| CAS Number | 1038790-72-5 |
|---|---|
| SMILES | CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4 |
Product Overview
(4-butyl-6-chloro-2-oxo-chromen-7-yl) 2-phenyl-2-phenylmethoxycarbonylamino-acetate (CAS 1038790-72-5), with molecular formula C29H26ClNO6 and molecular weight 519.14 g/mol. IUPAC: (4-butyl-6-chloro-2-oxochromen-7-yl) 2-phenyl-2-(phenylmethoxycarbonylamino)acetate.
Chemical Property Profile of (4-butyl-6-chloro-2-oxo-chromen-7-yl) 2-phenyl-2-phenylmethoxycarbonylamino-acetate
Property Insights of (4-butyl-6-chloro-2-oxo-chromen-7-yl) 2-phenyl-2-phenylmethoxycarbonylamino-acetate
The XLogP value of 6.3621 indicates that (4-butyl-6-chloro-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 94.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-butyl-6-chloro-2-oxo-chromen-7-yl) 2-phenyl-2-phenylmethoxycarbonylamino-acetate. Following Lipinski's Rule of Five, (4-butyl-6-chloro-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
Frequently Asked Questions
What is the CAS number of (4-butyl-6-chloro-2-oxo-chromen-7-yl) 2-phenyl-2-phenylmethoxycarbonylamino-acetate?
The CAS number of (4-butyl-6-chloro-2-oxo-chromen-7-yl) 2-phenyl-2-phenylmethoxycarbonylamino-acetate is 1038790-72-5.
What is the molecular formula of (4-butyl-6-chloro-2-oxo-chromen-7-yl) 2-phenyl-2-phenylmethoxycarbonylamino-acetate?
The molecular formula of (4-butyl-6-chloro-2-oxo-chromen-7-yl) 2-phenyl-2-phenylmethoxycarbonylamino-acetate is C29H26ClNO6.
What is the molecular weight of (4-butyl-6-chloro-2-oxo-chromen-7-yl) 2-phenyl-2-phenylmethoxycarbonylamino-acetate?
The molecular weight of (4-butyl-6-chloro-2-oxo-chromen-7-yl) 2-phenyl-2-phenylmethoxycarbonylamino-acetate is 519.14 g/mol.
Where can I buy (4-butyl-6-chloro-2-oxo-chromen-7-yl) 2-phenyl-2-phenylmethoxycarbonylamino-acetate?
You can request a quote for (4-butyl-6-chloro-2-oxo-chromen-7-yl) 2-phenyl-2-phenylmethoxycarbonylamino-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-butyl-6-chloro-2-oxo-chromen-7-yl) 2-phenyl-2-phenylmethoxycarbonylamino-acetate?
Yes, KEHONG BIO provides custom synthesis services for (4-butyl-6-chloro-2-oxo-chromen-7-yl) 2-phenyl-2-phenylmethoxycarbonylamino-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.