![(R)-3-(benzylthio)-2-(3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid structure](/static/products/956/956691-60-4.png)
(R)-3-(benzylthio)-2-(3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid
TL;DR: (R)-3-(benzylthio)-2-(3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid (CAS 956691-60-4) is a chemical compound with molecular formula C27H27NO6S and molecular weight 493.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-3-benzylsulfanyl-2-[3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]propanoic acid
Also Known As: (R)-3-(benzylthio)-2-(3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid, S-benzyl-N-[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-L-cysteine, (2R)-3-benzylsulfanyl-2-[3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]propanoic acid
| Molecular Formula | C27H27NO6S |
|---|---|
| Molecular Weight | 493.16 g/mol |
| LogP | 4.89986 |
| Topological Polar Surface Area | 109.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 493.1559 |
| Heavy Atoms | 35 |
| Complexity | 1453.8312 |
Chemical Identifiers
| CAS Number | 956691-60-4 |
|---|---|
| SMILES | CC1=COC2=C(C3=C(C=C12)C(=C(C(=O)O3)CCC(=O)N[C@@H](CSCC4=CC=CC=C4)C(=O)O)C)C |
Product Overview
(R)-3-(benzylthio)-2-(3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid (CAS 956691-60-4), with molecular formula C27H27NO6S and molecular weight 493.16 g/mol. IUPAC: (2R)-3-benzylsulfanyl-2-[3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]propanoic acid.
Chemical Property Profile of (R)-3-(benzylthio)-2-(3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid
Property Insights of (R)-3-(benzylthio)-2-(3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid
The XLogP value of 4.89986 indicates that (R)-3-(benzylthio)-2-(3-(3,5,9-trimethyl-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-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid. Following Lipinski's Rule of Five, (R)-3-(benzylthio)-2-(3-(3,5,9-trimethyl-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), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (R)-3-(benzylthio)-2-(3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid?
The CAS number of (R)-3-(benzylthio)-2-(3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid is 956691-60-4.
What is the molecular formula of (R)-3-(benzylthio)-2-(3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid?
The molecular formula of (R)-3-(benzylthio)-2-(3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid is C27H27NO6S.
What is the molecular weight of (R)-3-(benzylthio)-2-(3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid?
The molecular weight of (R)-3-(benzylthio)-2-(3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid is 493.16 g/mol.
Where can I buy (R)-3-(benzylthio)-2-(3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid?
You can request a quote for (R)-3-(benzylthio)-2-(3-(3,5,9-trimethyl-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-(3,5,9-trimethyl-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-(3,5,9-trimethyl-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.