![(R)-3-(benzylthio)-2-(3-(3-(tert-butyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid structure](/static/products/957/957046-43-4.png)
(R)-3-(benzylthio)-2-(3-(3-(tert-butyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid
TL;DR: (R)-3-(benzylthio)-2-(3-(3-(tert-butyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid (CAS 957046-43-4) is a chemical compound with molecular formula C29H31NO6S and molecular weight 521.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-3-benzylsulfanyl-2-[3-(3-tert-butyl-5-methyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]propanoic acid
Also Known As: (R)-3-(benzylthio)-2-(3-(3-(tert-butyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid, (2R)-3-benzylsulfanyl-2-[3-(3-tert-butyl-5-methyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]propanoic acid
| Molecular Formula | C29H31NO6S |
|---|---|
| Molecular Weight | 521.19 g/mol |
| LogP | 5.58052 |
| Topological Polar Surface Area | 109.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 521.1872 |
| Heavy Atoms | 37 |
| Complexity | 1496.3883 |
Chemical Identifiers
| CAS Number | 957046-43-4 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=CC3=C(C=C12)C(=CO3)C(C)(C)C)CCC(=O)N[C@@H](CSCC4=CC=CC=C4)C(=O)O |
Product Overview
(R)-3-(benzylthio)-2-(3-(3-(tert-butyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid (CAS 957046-43-4), with molecular formula C29H31NO6S and molecular weight 521.19 g/mol. IUPAC: (2R)-3-benzylsulfanyl-2-[3-(3-tert-butyl-5-methyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]propanoic acid.
Chemical Property Profile of (R)-3-(benzylthio)-2-(3-(3-(tert-butyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid
Property Insights of (R)-3-(benzylthio)-2-(3-(3-(tert-butyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid
The XLogP value of 5.58052 indicates that (R)-3-(benzylthio)-2-(3-(3-(tert-butyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.75 Ų falls within the moderate polarity range, balancing permeability and solubility for (R)-3-(benzylthio)-2-(3-(3-(tert-butyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid. Following Lipinski's Rule of Five, (R)-3-(benzylthio)-2-(3-(3-(tert-butyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid has 2 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 (R)-3-(benzylthio)-2-(3-(3-(tert-butyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid?
The CAS number of (R)-3-(benzylthio)-2-(3-(3-(tert-butyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid is 957046-43-4.
What is the molecular formula of (R)-3-(benzylthio)-2-(3-(3-(tert-butyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid?
The molecular formula of (R)-3-(benzylthio)-2-(3-(3-(tert-butyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid is C29H31NO6S.
What is the molecular weight of (R)-3-(benzylthio)-2-(3-(3-(tert-butyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid?
The molecular weight of (R)-3-(benzylthio)-2-(3-(3-(tert-butyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid is 521.19 g/mol.
Where can I buy (R)-3-(benzylthio)-2-(3-(3-(tert-butyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid?
You can request a quote for (R)-3-(benzylthio)-2-(3-(3-(tert-butyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (R)-3-(benzylthio)-2-(3-(3-(tert-butyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (R)-3-(benzylthio)-2-(3-(3-(tert-butyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.