(S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate
TL;DR: (S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate (CAS 956043-48-4) 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.
(3,4,7-trimethyl-2-oxochromen-5-yl) (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
Also Known As: (S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate, 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl N-(tert-butoxycarbonyl)-L-valinate, (3,4,7-trimethyl-2-oxochromen-5-yl) (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
| Molecular Formula | C22H29NO6 |
|---|---|
| Molecular Weight | 403.20 g/mol |
| LogP | 4.17296 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.1995 |
| Heavy Atoms | 29 |
| Complexity | 997.0003 |
Chemical Identifiers
| CAS Number | 956043-48-4 |
|---|---|
| SMILES | CC1=CC2=C(C(=C(C(=O)O2)C)C)C(=C1)OC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C |
Product Overview
(S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate (CAS 956043-48-4), with molecular formula C22H29NO6 and molecular weight 403.20 g/mol. IUPAC: (3,4,7-trimethyl-2-oxochromen-5-yl) (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.
Chemical Property Profile of (S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate
Property Insights of (S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate
The XLogP value of 4.17296 indicates that (S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate 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)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate. Following Lipinski's Rule of Five, (S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate 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)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate?
The CAS number of (S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate is 956043-48-4.
What is the molecular formula of (S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate?
The molecular formula of (S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate is C22H29NO6.
What is the molecular weight of (S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate?
The molecular weight of (S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate is 403.20 g/mol.
Where can I buy (S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate?
You can request a quote for (S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.