![N-[4-(1,1-Dimethylethyl)benzoyl]-L-valine 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester structure](/static/products/957/957014-28-7.png)
N-[4-(1,1-Dimethylethyl)benzoyl]-L-valine 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester
TL;DR: N-[4-(1,1-Dimethylethyl)benzoyl]-L-valine 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester (CAS 957014-28-7) is a chemical compound with molecular formula C26H29NO5 and molecular weight 435.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-2-oxochromen-7-yl) (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate
Also Known As: N-[4-(1,1-Dimethylethyl)benzoyl]-L-valine 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester, 4-Methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-tert-butylbenzoyl)-L-valinate, (4-methyl-2-oxochromen-7-yl) (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate
| Molecular Formula | C26H29NO5 |
|---|---|
| Molecular Weight | 435.20 g/mol |
| LogP | 4.75892 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 435.20456 |
| Heavy Atoms | 32 |
| Complexity | 1199.5997 |
Chemical Identifiers
| CAS Number | 957014-28-7 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)[C@H](C(C)C)NC(=O)C3=CC=C(C=C3)C(C)(C)C |
Product Overview
N-[4-(1,1-Dimethylethyl)benzoyl]-L-valine 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester (CAS 957014-28-7), with molecular formula C26H29NO5 and molecular weight 435.20 g/mol. IUPAC: (4-methyl-2-oxochromen-7-yl) (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate.
Chemical Property Profile of N-[4-(1,1-Dimethylethyl)benzoyl]-L-valine 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester
Property Insights of N-[4-(1,1-Dimethylethyl)benzoyl]-L-valine 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester
The XLogP value of 4.75892 indicates that N-[4-(1,1-Dimethylethyl)benzoyl]-L-valine 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.61 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-(1,1-Dimethylethyl)benzoyl]-L-valine 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester. Following Lipinski's Rule of Five, N-[4-(1,1-Dimethylethyl)benzoyl]-L-valine 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester has 1 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-(1,1-Dimethylethyl)benzoyl]-L-valine 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester?
The CAS number of N-[4-(1,1-Dimethylethyl)benzoyl]-L-valine 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester is 957014-28-7.
What is the molecular formula of N-[4-(1,1-Dimethylethyl)benzoyl]-L-valine 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester?
The molecular formula of N-[4-(1,1-Dimethylethyl)benzoyl]-L-valine 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester is C26H29NO5.
What is the molecular weight of N-[4-(1,1-Dimethylethyl)benzoyl]-L-valine 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester?
The molecular weight of N-[4-(1,1-Dimethylethyl)benzoyl]-L-valine 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester is 435.20 g/mol.
Where can I buy N-[4-(1,1-Dimethylethyl)benzoyl]-L-valine 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester?
You can request a quote for N-[4-(1,1-Dimethylethyl)benzoyl]-L-valine 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-(1,1-Dimethylethyl)benzoyl]-L-valine 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(1,1-Dimethylethyl)benzoyl]-L-valine 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.