![4-butyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate structure](/static/products/117/1173666-30-2.png)
4-butyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate
TL;DR: 4-butyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate (CAS 1173666-30-2) is a chemical compound with molecular formula C26H31NO6S and molecular weight 485.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-butyl-2-oxochromen-7-yl) (2S,3R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate
Also Known As: 4-butyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate, (2S,3R)-4-butyl-2-oxo-2H-chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)pentanoate, (4-butyl-2-oxochromen-7-yl) (2S,3R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate
| Molecular Formula | C26H31NO6S |
|---|---|
| Molecular Weight | 485.19 g/mol |
| LogP | 4.74262 |
| Topological Polar Surface Area | 102.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 485.1872 |
| Heavy Atoms | 34 |
| Complexity | 1311.3654 |
Chemical Identifiers
| CAS Number | 1173666-30-2 |
|---|---|
| SMILES | CCCCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)[C@H]([C@H](C)CC)NS(=O)(=O)C3=CC=C(C=C3)C |
Product Overview
4-butyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate (CAS 1173666-30-2), with molecular formula C26H31NO6S and molecular weight 485.19 g/mol. IUPAC: (4-butyl-2-oxochromen-7-yl) (2S,3R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate.
Chemical Property Profile of 4-butyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate
Property Insights of 4-butyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate
The XLogP value of 4.74262 indicates that 4-butyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-butyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate. Following Lipinski's Rule of Five, 4-butyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate has 1 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 4-butyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate?
The CAS number of 4-butyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate is 1173666-30-2.
What is the molecular formula of 4-butyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate?
The molecular formula of 4-butyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate is C26H31NO6S.
What is the molecular weight of 4-butyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate?
The molecular weight of 4-butyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate is 485.19 g/mol.
Where can I buy 4-butyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate?
You can request a quote for 4-butyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-butyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate?
Yes, KEHONG BIO provides custom synthesis services for 4-butyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.