(2S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)propanamido)-2-phenylacetic acid
TL;DR: (2S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)propanamido)-2-phenylacetic acid (CAS 956781-85-4) is a chemical compound with molecular formula C29H27NO6 and molecular weight 485.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[2-(3-benzyl-4,8-dimethyl-2-oxochromen-7-yl)oxypropanoylamino]-2-phenylacetic acid
Also Known As: (2S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)propanamido)-2-phenylacetic acid, (2S)-2-[2-(3-benzyl-4,8-dimethyl-2-oxochromen-7-yl)oxypropanoylamino]-2-phenylacetic acid, (2S)-({2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}amino)(phenyl)ethanoic acid, 2-{2-[(3-BENZYL-4,8-DIMETHYL-2-OXO-2H-CHROMEN-7-YL)OXY]PROPANAMIDO}-2-PHENYLACETIC ACID
| Molecular Formula | C29H27NO6 |
|---|---|
| Molecular Weight | 485.18 g/mol |
| LogP | 4.71004 |
| Topological Polar Surface Area | 105.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 485.18384 |
| Heavy Atoms | 36 |
| Complexity | 1460.3774 |
Chemical Identifiers
| CAS Number | 956781-85-4 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)N[C@@H](C3=CC=CC=C3)C(=O)O)CC4=CC=CC=C4 |
Product Overview
(2S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)propanamido)-2-phenylacetic acid (CAS 956781-85-4), with molecular formula C29H27NO6 and molecular weight 485.18 g/mol. IUPAC: (2S)-2-[2-(3-benzyl-4,8-dimethyl-2-oxochromen-7-yl)oxypropanoylamino]-2-phenylacetic acid.
Chemical Property Profile of (2S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)propanamido)-2-phenylacetic acid
Property Insights of (2S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)propanamido)-2-phenylacetic acid
The XLogP value of 4.71004 indicates that (2S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)propanamido)-2-phenylacetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)propanamido)-2-phenylacetic acid. Following Lipinski's Rule of Five, (2S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)propanamido)-2-phenylacetic acid has 2 hydrogen bond donor(s) and 5 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 (2S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)propanamido)-2-phenylacetic acid?
The CAS number of (2S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)propanamido)-2-phenylacetic acid is 956781-85-4.
What is the molecular formula of (2S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)propanamido)-2-phenylacetic acid?
The molecular formula of (2S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)propanamido)-2-phenylacetic acid is C29H27NO6.
What is the molecular weight of (2S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)propanamido)-2-phenylacetic acid?
The molecular weight of (2S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)propanamido)-2-phenylacetic acid is 485.18 g/mol.
Where can I buy (2S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)propanamido)-2-phenylacetic acid?
You can request a quote for (2S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)propanamido)-2-phenylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)propanamido)-2-phenylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)propanamido)-2-phenylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.