(S)-4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate
TL;DR: (S)-4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate (CAS 956159-21-0) is a chemical compound with molecular formula C27H30ClNO6 and molecular weight 499.18 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) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
Also Known As: (S)-4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate, (4-butyl-6-chloro-2-oxochromen-7-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
| Molecular Formula | C27H30ClNO6 |
|---|---|
| Molecular Weight | 499.18 g/mol |
| LogP | 5.8304 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 499.17618 |
| Heavy Atoms | 35 |
| Complexity | 1246.2466 |
Chemical Identifiers
| CAS Number | 956159-21-0 |
|---|---|
| SMILES | CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)[C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C |
Product Overview
(S)-4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate (CAS 956159-21-0), with molecular formula C27H30ClNO6 and molecular weight 499.18 g/mol. IUPAC: (4-butyl-6-chloro-2-oxochromen-7-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate.
Chemical Property Profile of (S)-4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate
Property Insights of (S)-4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate
The XLogP value of 5.8304 indicates that (S)-4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)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)-4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate. Following Lipinski's Rule of Five, (S)-4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)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)-4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate?
The CAS number of (S)-4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate is 956159-21-0.
What is the molecular formula of (S)-4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate?
The molecular formula of (S)-4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate is C27H30ClNO6.
What is the molecular weight of (S)-4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate?
The molecular weight of (S)-4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate is 499.18 g/mol.
Where can I buy (S)-4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate?
You can request a quote for (S)-4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)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)-4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.