(S)-4-butyl-7-methyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)-4-methylpentanoate
TL;DR: (S)-4-butyl-7-methyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)-4-methylpentanoate (CAS 956436-73-0) is a chemical compound with molecular formula C25H35NO6 and molecular weight 445.25 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)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
Also Known As: (S)-4-butyl-7-methyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)-4-methylpentanoate, (4-butyl-7-methyl-2-oxo-chromen-5-yl) 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate, (4-butyl-7-methyl-2-oxochromen-5-yl) (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
| Molecular Formula | C25H35NO6 |
|---|---|
| Molecular Weight | 445.25 g/mol |
| LogP | 5.28882 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 445.24643 |
| Heavy Atoms | 32 |
| Complexity | 1015.4897 |
Chemical Identifiers
| CAS Number | 956436-73-0 |
|---|---|
| SMILES | CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C |
Product Overview
(S)-4-butyl-7-methyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)-4-methylpentanoate (CAS 956436-73-0), with molecular formula C25H35NO6 and molecular weight 445.25 g/mol. IUPAC: (4-butyl-7-methyl-2-oxochromen-5-yl) (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.
Chemical Property Profile of (S)-4-butyl-7-methyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)-4-methylpentanoate
Property Insights of (S)-4-butyl-7-methyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)-4-methylpentanoate
The XLogP value of 5.28882 indicates that (S)-4-butyl-7-methyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)-4-methylpentanoate 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)-4-methylpentanoate. Following Lipinski's Rule of Five, (S)-4-butyl-7-methyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)-4-methylpentanoate 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-7-methyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)-4-methylpentanoate?
The CAS number of (S)-4-butyl-7-methyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)-4-methylpentanoate is 956436-73-0.
What is the molecular formula of (S)-4-butyl-7-methyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)-4-methylpentanoate?
The molecular formula of (S)-4-butyl-7-methyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)-4-methylpentanoate is C25H35NO6.
What is the molecular weight of (S)-4-butyl-7-methyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)-4-methylpentanoate?
The molecular weight of (S)-4-butyl-7-methyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)-4-methylpentanoate is 445.25 g/mol.
Where can I buy (S)-4-butyl-7-methyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)-4-methylpentanoate?
You can request a quote for (S)-4-butyl-7-methyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)-4-methylpentanoate 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)-4-methylpentanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-4-butyl-7-methyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)-4-methylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.