![3,4,7-trimethyl-2-oxo-2H-chromen-5-yl N-[(4-methylphenyl)sulfonyl]-L-phenylalaninate structure](/static/products/117/1173672-80-4.png)
3,4,7-trimethyl-2-oxo-2H-chromen-5-yl N-[(4-methylphenyl)sulfonyl]-L-phenylalaninate
TL;DR: 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl N-[(4-methylphenyl)sulfonyl]-L-phenylalaninate (CAS 1173672-80-4) is a chemical compound with molecular formula C28H27NO6S and molecular weight 505.16 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)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate
Also Known As: 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl N-[(4-methylphenyl)sulfonyl]-L-phenylalaninate, (3,4,7-trimethyl-2-oxochromen-5-yl) (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate, (S)-3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-(4-methylphenylsulfonamido)-3-phenylpropanoate, 3,4,7-TRIMETHYL-2-OXO-2H-CHROMEN-5-YL 2-(4-METHYLBENZENESULFONAMIDO)-3-PHENYLPROPANOATE
| Molecular Formula | C28H27NO6S |
|---|---|
| Molecular Weight | 505.16 g/mol |
| LogP | 4.52188 |
| Topological Polar Surface Area | 102.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 505.1559 |
| Heavy Atoms | 36 |
| Complexity | 1589.6652 |
Chemical Identifiers
| CAS Number | 1173672-80-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC3=CC(=CC4=C3C(=C(C(=O)O4)C)C)C |
Product Overview
3,4,7-trimethyl-2-oxo-2H-chromen-5-yl N-[(4-methylphenyl)sulfonyl]-L-phenylalaninate (CAS 1173672-80-4), with molecular formula C28H27NO6S and molecular weight 505.16 g/mol. IUPAC: (3,4,7-trimethyl-2-oxochromen-5-yl) (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate.
Chemical Property Profile of 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl N-[(4-methylphenyl)sulfonyl]-L-phenylalaninate
Property Insights of 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl N-[(4-methylphenyl)sulfonyl]-L-phenylalaninate
The XLogP value of 4.52188 indicates that 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl N-[(4-methylphenyl)sulfonyl]-L-phenylalaninate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl N-[(4-methylphenyl)sulfonyl]-L-phenylalaninate. Following Lipinski's Rule of Five, 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl N-[(4-methylphenyl)sulfonyl]-L-phenylalaninate has 1 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 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl N-[(4-methylphenyl)sulfonyl]-L-phenylalaninate?
The CAS number of 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl N-[(4-methylphenyl)sulfonyl]-L-phenylalaninate is 1173672-80-4.
What is the molecular formula of 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl N-[(4-methylphenyl)sulfonyl]-L-phenylalaninate?
The molecular formula of 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl N-[(4-methylphenyl)sulfonyl]-L-phenylalaninate is C28H27NO6S.
What is the molecular weight of 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl N-[(4-methylphenyl)sulfonyl]-L-phenylalaninate?
The molecular weight of 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl N-[(4-methylphenyl)sulfonyl]-L-phenylalaninate is 505.16 g/mol.
Where can I buy 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl N-[(4-methylphenyl)sulfonyl]-L-phenylalaninate?
You can request a quote for 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl N-[(4-methylphenyl)sulfonyl]-L-phenylalaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl N-[(4-methylphenyl)sulfonyl]-L-phenylalaninate?
Yes, KEHONG BIO provides custom synthesis services for 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl N-[(4-methylphenyl)sulfonyl]-L-phenylalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.