L-Phenylalanine, N-((5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1,4-dioxo-1H-2-benzopyran-7-yl)carbonyl)-, (R)-
TL;DR: L-Phenylalanine, N-((5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1,4-dioxo-1H-2-benzopyran-7-yl)carbonyl)-, (R)- (CAS 93261-84-8) is a chemical compound with molecular formula C20H16ClNO7 and molecular weight 417.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1,4-dioxoisochromene-7-carbonyl]amino]-3-phenylpropanoic acid
Also Known As: L-Phenylalanine, N-((5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1,4-dioxo-1H-2-benzopyran-7-yl)carbonyl)-, (R)-, (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1,4-dioxoisochromene-7-carbonyl]amino]-3-phenylpropanoic acid, L-Phenylalanine,N-[(5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1,4-dioxo-1H-2-benzopyran-7-yl)carbonyl]-,(R)- (9CI), L-Phenylalanine,N-[(5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1,4-dioxo-1H-2-benzopyran-7-yl)carbonyl]-,(R)-(9ci), N-[(5-Chloro-8-hydroxy-3-methyl-1,4-dioxo-3,4-dihydro-1H-2-benzopyran-7-yl)(hydroxy)methylidene]phenylalanine
| Molecular Formula | C20H16ClNO7 |
|---|---|
| Molecular Weight | 417.06 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.06152 |
| Heavy Atoms | 29 |
| Complexity | 678.0 |
Chemical Identifiers
| CAS Number | 93261-84-8 |
|---|---|
| SMILES | C[C@@H]1C(=O)C2=C(C=C(C(=C2C(=O)O1)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)Cl |
| InChIKey | KNHGLSCHDZCRBC-RNCFNFMXSA-N |
Product Overview
L-Phenylalanine, N-((5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1,4-dioxo-1H-2-benzopyran-7-yl)carbonyl)-, (R)- (CAS 93261-84-8), with molecular formula C20H16ClNO7 and molecular weight 417.06 g/mol. IUPAC: (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1,4-dioxoisochromene-7-carbonyl]amino]-3-phenylpropanoic acid.
Chemical Property Profile of L-Phenylalanine, N-((5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1,4-dioxo-1H-2-benzopyran-7-yl)carbonyl)-, (R)-
Property Insights of L-Phenylalanine, N-((5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1,4-dioxo-1H-2-benzopyran-7-yl)carbonyl)-, (R)-
The XLogP value of 3.4 indicates that L-Phenylalanine, N-((5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1,4-dioxo-1H-2-benzopyran-7-yl)carbonyl)-, (R)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for L-Phenylalanine, N-((5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1,4-dioxo-1H-2-benzopyran-7-yl)carbonyl)-, (R)-. Following Lipinski's Rule of Five, L-Phenylalanine, N-((5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1,4-dioxo-1H-2-benzopyran-7-yl)carbonyl)-, (R)- has 3 hydrogen bond donor(s) and 7 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 L-Phenylalanine, N-((5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1,4-dioxo-1H-2-benzopyran-7-yl)carbonyl)-, (R)-?
The CAS number of L-Phenylalanine, N-((5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1,4-dioxo-1H-2-benzopyran-7-yl)carbonyl)-, (R)- is 93261-84-8.
What is the molecular formula of L-Phenylalanine, N-((5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1,4-dioxo-1H-2-benzopyran-7-yl)carbonyl)-, (R)-?
The molecular formula of L-Phenylalanine, N-((5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1,4-dioxo-1H-2-benzopyran-7-yl)carbonyl)-, (R)- is C20H16ClNO7.
What is the molecular weight of L-Phenylalanine, N-((5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1,4-dioxo-1H-2-benzopyran-7-yl)carbonyl)-, (R)-?
The molecular weight of L-Phenylalanine, N-((5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1,4-dioxo-1H-2-benzopyran-7-yl)carbonyl)-, (R)- is 417.06 g/mol.
Where can I buy L-Phenylalanine, N-((5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1,4-dioxo-1H-2-benzopyran-7-yl)carbonyl)-, (R)-?
You can request a quote for L-Phenylalanine, N-((5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1,4-dioxo-1H-2-benzopyran-7-yl)carbonyl)-, (R)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-Phenylalanine, N-((5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1,4-dioxo-1H-2-benzopyran-7-yl)carbonyl)-, (R)-?
Yes, KEHONG BIO provides custom synthesis services for L-Phenylalanine, N-((5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1,4-dioxo-1H-2-benzopyran-7-yl)carbonyl)-, (R)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.