(S)-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate
TL;DR: (S)-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate (CAS 956044-58-9) is a chemical compound with molecular formula C27H22ClNO6 and molecular weight 491.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-chloro-4-methyl-2-oxochromen-7-yl) (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
Also Known As: (S)-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate, (6-chloro-4-methyl-2-oxo-chromen-7-yl) 3-phenyl-2-phenylmethoxycarbonylamino-propanoate, 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-L-phenylalaninate, (6-chloro-4-methyl-2-oxochromen-7-yl) (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
| Molecular Formula | C27H22ClNO6 |
|---|---|
| Molecular Weight | 491.11 g/mol |
| LogP | 5.19792 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 491.11356 |
| Heavy Atoms | 35 |
| Complexity | 1402.1301 |
Chemical Identifiers
| CAS Number | 956044-58-9 |
|---|---|
| SMILES | CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4 |
Product Overview
(S)-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate (CAS 956044-58-9), with molecular formula C27H22ClNO6 and molecular weight 491.11 g/mol. IUPAC: (6-chloro-4-methyl-2-oxochromen-7-yl) (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate.
Chemical Property Profile of (S)-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate
Property Insights of (S)-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate
The XLogP value of 5.19792 indicates that (S)-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate 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 (S)-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate. Following Lipinski's Rule of Five, (S)-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate 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 (S)-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate?
The CAS number of (S)-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate is 956044-58-9.
What is the molecular formula of (S)-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate?
The molecular formula of (S)-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate is C27H22ClNO6.
What is the molecular weight of (S)-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate?
The molecular weight of (S)-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate is 491.11 g/mol.
Where can I buy (S)-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate?
You can request a quote for (S)-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.