(S)-4-butyl-7-methyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)propanoate
TL;DR: (S)-4-butyl-7-methyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)propanoate (CAS 956045-88-8) is a chemical compound with molecular formula C22H29NO6 and molecular weight 403.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-butyl-7-methyl-2-oxochromen-5-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Also Known As: (S)-4-butyl-7-methyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)propanoate, (4-butyl-7-methyl-2-oxochromen-5-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
| Molecular Formula | C22H29NO6 |
|---|---|
| Molecular Weight | 403.20 g/mol |
| LogP | 4.26262 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.1995 |
| Heavy Atoms | 29 |
| Complexity | 954.1544 |
Chemical Identifiers
| CAS Number | 956045-88-8 |
|---|---|
| SMILES | CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(=O)[C@H](C)NC(=O)OC(C)(C)C |
Product Overview
(S)-4-butyl-7-methyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)propanoate (CAS 956045-88-8), with molecular formula C22H29NO6 and molecular weight 403.20 g/mol. IUPAC: (4-butyl-7-methyl-2-oxochromen-5-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
Chemical Property Profile of (S)-4-butyl-7-methyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)propanoate
Property Insights of (S)-4-butyl-7-methyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)propanoate
The XLogP value of 4.26262 indicates that (S)-4-butyl-7-methyl-2-oxo-2H-chromen-5-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)-4-butyl-7-methyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)propanoate. Following Lipinski's Rule of Five, (S)-4-butyl-7-methyl-2-oxo-2H-chromen-5-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)-4-butyl-7-methyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)propanoate?
The CAS number of (S)-4-butyl-7-methyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)propanoate is 956045-88-8.
What is the molecular formula of (S)-4-butyl-7-methyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)propanoate?
The molecular formula of (S)-4-butyl-7-methyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)propanoate is C22H29NO6.
What is the molecular weight of (S)-4-butyl-7-methyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)propanoate?
The molecular weight of (S)-4-butyl-7-methyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)propanoate is 403.20 g/mol.
Where can I buy (S)-4-butyl-7-methyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)propanoate?
You can request a quote for (S)-4-butyl-7-methyl-2-oxo-2H-chromen-5-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)-4-butyl-7-methyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-4-butyl-7-methyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.