(S)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)-2-(4-hydroxyphenyl)acetic acid
TL;DR: (S)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)-2-(4-hydroxyphenyl)acetic acid (CAS 956747-10-7) is a chemical compound with molecular formula C22H21NO7 and molecular weight 411.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanoylamino]-2-(4-hydroxyphenyl)acetic acid
Also Known As: (S)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)-2-(4-hydroxyphenyl)acetic acid, (2S)-2-[3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanoylamino]-2-(4-hydroxyphenyl)acetic acid, 2-[3-(7-hydroxy-4,8-dimethyl-2-oxo-chromen-3-yl)propanoylamino]-2-(4-hydroxyphenyl)acetic Acid
| Molecular Formula | C22H21NO7 |
|---|---|
| Molecular Weight | 411.13 g/mol |
| LogP | 2.69574 |
| Topological Polar Surface Area | 137.07 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.1318 |
| Heavy Atoms | 30 |
| Complexity | 1178.7957 |
Chemical Identifiers
| CAS Number | 956747-10-7 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CCC(=O)N[C@@H](C3=CC=C(C=C3)O)C(=O)O |
Product Overview
(S)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)-2-(4-hydroxyphenyl)acetic acid (CAS 956747-10-7), with molecular formula C22H21NO7 and molecular weight 411.13 g/mol. IUPAC: (2S)-2-[3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanoylamino]-2-(4-hydroxyphenyl)acetic acid.
Chemical Property Profile of (S)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)-2-(4-hydroxyphenyl)acetic acid
Property Insights of (S)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)-2-(4-hydroxyphenyl)acetic acid
The XLogP value of 2.69574 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)-2-(4-hydroxyphenyl)acetic acid. The TPSA of 137.07 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)-2-(4-hydroxyphenyl)acetic acid. Following Lipinski's Rule of Five, (S)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)-2-(4-hydroxyphenyl)acetic acid has 4 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 (S)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)-2-(4-hydroxyphenyl)acetic acid?
The CAS number of (S)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)-2-(4-hydroxyphenyl)acetic acid is 956747-10-7.
What is the molecular formula of (S)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)-2-(4-hydroxyphenyl)acetic acid?
The molecular formula of (S)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)-2-(4-hydroxyphenyl)acetic acid is C22H21NO7.
What is the molecular weight of (S)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)-2-(4-hydroxyphenyl)acetic acid?
The molecular weight of (S)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)-2-(4-hydroxyphenyl)acetic acid is 411.13 g/mol.
Where can I buy (S)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)-2-(4-hydroxyphenyl)acetic acid?
You can request a quote for (S)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)-2-(4-hydroxyphenyl)acetic 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-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)-2-(4-hydroxyphenyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)-2-(4-hydroxyphenyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.