![(2S)-2-[[(8R)-8-chloro-5-hydroxy-2-methyl-1a,2,4,8-tetrahydrooxireno[2,3-d]isochromene-6-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid structure](/static/products/562/56271-51-3.png)
(2S)-2-[[(8R)-8-chloro-5-hydroxy-2-methyl-1a,2,4,8-tetrahydrooxireno[2,3-d]isochromene-6-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
TL;DR: (2S)-2-[[(8R)-8-chloro-5-hydroxy-2-methyl-1a,2,4,8-tetrahydrooxireno[2,3-d]isochromene-6-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid (CAS 56271-51-3) is a chemical compound with molecular formula C20H20ClNO7 and molecular weight 421.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(8R)-8-chloro-5-hydroxy-2-methyl-1a,2,4,8-tetrahydrooxireno[2,3-d]isochromene-6-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Also Known As: (2S)-2-[[(8R)-8-chloro-5-hydroxy-2-methyl-1a,2,4,8-tetrahydrooxireno[2,3-d]isochromene-6-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid, L-Tyrosine, N-((5-chloro-3,4-dihydro-8-hydroxy-3-methyl-oxo-1H-2-benzopyran-7-yl)carbonyl)-, (R)-, N-[(8-Chloro-5-hydroxy-2-methyl-1a,2,4,8-tetrahydrooxireno[d][2]benzopyran-6-yl)(hydroxy)methylidene]tyrosine, N-{[(8R)-8-Chloro-5-hydroxy-2-methyl-1a,2,4,8-tetrahydrooxireno[d][2]benzopyran-6-yl](hydroxy)methylidene}-L-tyrosine
| Molecular Formula | C20H20ClNO7 |
|---|---|
| Molecular Weight | 421.09 g/mol |
| LogP | 1.4199 |
| Topological Polar Surface Area | 128.62 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.09283 |
| Heavy Atoms | 29 |
| Complexity | 925.2623 |
Chemical Identifiers
| CAS Number | 56271-51-3 |
|---|---|
| SMILES | CC1C2C3(O2)[C@@H](C=C(C(=C3CO1)O)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)O)Cl |
Product Overview
(2S)-2-[[(8R)-8-chloro-5-hydroxy-2-methyl-1a,2,4,8-tetrahydrooxireno[2,3-d]isochromene-6-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid (CAS 56271-51-3), with molecular formula C20H20ClNO7 and molecular weight 421.09 g/mol. IUPAC: (2S)-2-[[(8R)-8-chloro-5-hydroxy-2-methyl-1a,2,4,8-tetrahydrooxireno[2,3-d]isochromene-6-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid.
Chemical Property Profile of (2S)-2-[[(8R)-8-chloro-5-hydroxy-2-methyl-1a,2,4,8-tetrahydrooxireno[2,3-d]isochromene-6-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Property Insights of (2S)-2-[[(8R)-8-chloro-5-hydroxy-2-methyl-1a,2,4,8-tetrahydrooxireno[2,3-d]isochromene-6-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
The XLogP value of 1.4199 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-[[(8R)-8-chloro-5-hydroxy-2-methyl-1a,2,4,8-tetrahydrooxireno[2,3-d]isochromene-6-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid. The TPSA of 128.62 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-[[(8R)-8-chloro-5-hydroxy-2-methyl-1a,2,4,8-tetrahydrooxireno[2,3-d]isochromene-6-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid. Following Lipinski's Rule of Five, (2S)-2-[[(8R)-8-chloro-5-hydroxy-2-methyl-1a,2,4,8-tetrahydrooxireno[2,3-d]isochromene-6-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic 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 (2S)-2-[[(8R)-8-chloro-5-hydroxy-2-methyl-1a,2,4,8-tetrahydrooxireno[2,3-d]isochromene-6-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid?
The CAS number of (2S)-2-[[(8R)-8-chloro-5-hydroxy-2-methyl-1a,2,4,8-tetrahydrooxireno[2,3-d]isochromene-6-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid is 56271-51-3.
What is the molecular formula of (2S)-2-[[(8R)-8-chloro-5-hydroxy-2-methyl-1a,2,4,8-tetrahydrooxireno[2,3-d]isochromene-6-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid?
The molecular formula of (2S)-2-[[(8R)-8-chloro-5-hydroxy-2-methyl-1a,2,4,8-tetrahydrooxireno[2,3-d]isochromene-6-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid is C20H20ClNO7.
What is the molecular weight of (2S)-2-[[(8R)-8-chloro-5-hydroxy-2-methyl-1a,2,4,8-tetrahydrooxireno[2,3-d]isochromene-6-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid?
The molecular weight of (2S)-2-[[(8R)-8-chloro-5-hydroxy-2-methyl-1a,2,4,8-tetrahydrooxireno[2,3-d]isochromene-6-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid is 421.09 g/mol.
Where can I buy (2S)-2-[[(8R)-8-chloro-5-hydroxy-2-methyl-1a,2,4,8-tetrahydrooxireno[2,3-d]isochromene-6-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid?
You can request a quote for (2S)-2-[[(8R)-8-chloro-5-hydroxy-2-methyl-1a,2,4,8-tetrahydrooxireno[2,3-d]isochromene-6-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-[[(8R)-8-chloro-5-hydroxy-2-methyl-1a,2,4,8-tetrahydrooxireno[2,3-d]isochromene-6-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-[[(8R)-8-chloro-5-hydroxy-2-methyl-1a,2,4,8-tetrahydrooxireno[2,3-d]isochromene-6-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.