![N-[(4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-3-yl)acetyl]-L-valine structure](/static/products/956/956569-41-8.png)
N-[(4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-3-yl)acetyl]-L-valine
TL;DR: N-[(4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-3-yl)acetyl]-L-valine (CAS 956569-41-8) is a chemical compound with molecular formula C22H27NO6 and molecular weight 401.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-methyl-2-[[2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetyl]amino]butanoic acid
Also Known As: N-[(4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-3-yl)acetyl]-L-valine, (2S)-3-methyl-2-[[2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetyl]amino]butanoic acid, (S)-3-methyl-2-(2-(4,8,8-trimethyl-2-oxo-2,6,7,8-tetrahydropyrano[3,2-g]chromen-3-yl)acetamido)butanoic acid
| Molecular Formula | C22H27NO6 |
|---|---|
| Molecular Weight | 401.18 g/mol |
| LogP | 2.97292 |
| Topological Polar Surface Area | 105.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.18384 |
| Heavy Atoms | 29 |
| Complexity | 1033.7548 |
Chemical Identifiers
| CAS Number | 956569-41-8 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=C3CCC(OC3=C2)(C)C)CC(=O)N[C@@H](C(C)C)C(=O)O |
Product Overview
N-[(4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-3-yl)acetyl]-L-valine (CAS 956569-41-8), with molecular formula C22H27NO6 and molecular weight 401.18 g/mol. IUPAC: (2S)-3-methyl-2-[[2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetyl]amino]butanoic acid.
Chemical Property Profile of N-[(4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-3-yl)acetyl]-L-valine
Property Insights of N-[(4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-3-yl)acetyl]-L-valine
The XLogP value of 2.97292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-3-yl)acetyl]-L-valine. The TPSA of 105.84 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-3-yl)acetyl]-L-valine. Following Lipinski's Rule of Five, N-[(4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-3-yl)acetyl]-L-valine has 2 hydrogen bond donor(s) and 5 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 N-[(4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-3-yl)acetyl]-L-valine?
The CAS number of N-[(4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-3-yl)acetyl]-L-valine is 956569-41-8.
What is the molecular formula of N-[(4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-3-yl)acetyl]-L-valine?
The molecular formula of N-[(4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-3-yl)acetyl]-L-valine is C22H27NO6.
What is the molecular weight of N-[(4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-3-yl)acetyl]-L-valine?
The molecular weight of N-[(4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-3-yl)acetyl]-L-valine is 401.18 g/mol.
Where can I buy N-[(4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-3-yl)acetyl]-L-valine?
You can request a quote for N-[(4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-3-yl)acetyl]-L-valine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-3-yl)acetyl]-L-valine?
Yes, KEHONG BIO provides custom synthesis services for N-[(4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-3-yl)acetyl]-L-valine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.