(S)-6-chloro-2-oxo-4-propyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate
TL;DR: (S)-6-chloro-2-oxo-4-propyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate (CAS 956987-17-0) is a chemical compound with molecular formula C20H24ClNO6 and molecular weight 409.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-chloro-2-oxo-4-propylchromen-7-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Also Known As: (S)-6-chloro-2-oxo-4-propyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate, (6-chloro-2-oxo-4-propylchromen-7-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
| Molecular Formula | C20H24ClNO6 |
|---|---|
| Molecular Weight | 409.13 g/mol |
| LogP | 4.2175 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.1292 |
| Heavy Atoms | 28 |
| Complexity | 944.08704 |
Chemical Identifiers
| CAS Number | 956987-17-0 |
|---|---|
| SMILES | CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)[C@H](C)NC(=O)OC(C)(C)C |
Product Overview
(S)-6-chloro-2-oxo-4-propyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate (CAS 956987-17-0), with molecular formula C20H24ClNO6 and molecular weight 409.13 g/mol. IUPAC: (6-chloro-2-oxo-4-propylchromen-7-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
Chemical Property Profile of (S)-6-chloro-2-oxo-4-propyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate
Property Insights of (S)-6-chloro-2-oxo-4-propyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate
The XLogP value of 4.2175 indicates that (S)-6-chloro-2-oxo-4-propyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate 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-2-oxo-4-propyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate. Following Lipinski's Rule of Five, (S)-6-chloro-2-oxo-4-propyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S)-6-chloro-2-oxo-4-propyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate?
The CAS number of (S)-6-chloro-2-oxo-4-propyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate is 956987-17-0.
What is the molecular formula of (S)-6-chloro-2-oxo-4-propyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate?
The molecular formula of (S)-6-chloro-2-oxo-4-propyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate is C20H24ClNO6.
What is the molecular weight of (S)-6-chloro-2-oxo-4-propyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate?
The molecular weight of (S)-6-chloro-2-oxo-4-propyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate is 409.13 g/mol.
Where can I buy (S)-6-chloro-2-oxo-4-propyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate?
You can request a quote for (S)-6-chloro-2-oxo-4-propyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate 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-2-oxo-4-propyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-6-chloro-2-oxo-4-propyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.