![(S)-2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(1H-indol-3-yl)propanoic acid structure](/static/products/956/956050-72-9.png)
(S)-2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(1H-indol-3-yl)propanoic acid
TL;DR: (S)-2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(1H-indol-3-yl)propanoic acid (CAS 956050-72-9) is a chemical compound with molecular formula C30H30N2O6 and molecular weight 514.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[2-(3-tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid
Also Known As: (S)-2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(1H-indol-3-yl)propanoic acid, N-[(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]-L-tryptophan, (2S)-2-[[2-(3-tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid
| Molecular Formula | C30H30N2O6 |
|---|---|
| Molecular Weight | 514.21 g/mol |
| LogP | 5.28944 |
| Topological Polar Surface Area | 125.54 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 514.2104 |
| Heavy Atoms | 38 |
| Complexity | 1780.2759 |
Chemical Identifiers
| CAS Number | 956050-72-9 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C(C3=C(C=C12)C(=CO3)C(C)(C)C)C)CC(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)O |
Product Overview
(S)-2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(1H-indol-3-yl)propanoic acid (CAS 956050-72-9), with molecular formula C30H30N2O6 and molecular weight 514.21 g/mol. IUPAC: (2S)-2-[[2-(3-tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid.
Chemical Property Profile of (S)-2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(1H-indol-3-yl)propanoic acid
Property Insights of (S)-2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(1H-indol-3-yl)propanoic acid
The XLogP value of 5.28944 indicates that (S)-2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(1H-indol-3-yl)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.54 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(1H-indol-3-yl)propanoic acid. Following Lipinski's Rule of Five, (S)-2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(1H-indol-3-yl)propanoic acid has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S)-2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(1H-indol-3-yl)propanoic acid?
The CAS number of (S)-2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(1H-indol-3-yl)propanoic acid is 956050-72-9.
What is the molecular formula of (S)-2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(1H-indol-3-yl)propanoic acid?
The molecular formula of (S)-2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(1H-indol-3-yl)propanoic acid is C30H30N2O6.
What is the molecular weight of (S)-2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(1H-indol-3-yl)propanoic acid?
The molecular weight of (S)-2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(1H-indol-3-yl)propanoic acid is 514.21 g/mol.
Where can I buy (S)-2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(1H-indol-3-yl)propanoic acid?
You can request a quote for (S)-2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(1H-indol-3-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(1H-indol-3-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(1H-indol-3-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.