![2-{[4-(Azepane-1-sulfonyl)-2-nitrophenyl]amino}-4-methylpentanoic acid structure](/static/products/1396/1396966-68-9.webp)
2-{[4-(Azepane-1-sulfonyl)-2-nitrophenyl]amino}-4-methylpentanoic acid
TL;DR: 2-{[4-(Azepane-1-sulfonyl)-2-nitrophenyl]amino}-4-methylpentanoic acid (CAS 1396966-68-9) is a chemical compound with molecular formula C18H27N3O6S and molecular weight 413.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(azepan-1-ylsulfonyl)-2-nitroanilino]-4-methylpentanoic acid
Also Known As: 2-{[4-(azepane-1-sulfonyl)-2-nitrophenyl]amino}-4-methylpentanoic acid, (4-(Azepan-1-ylsulfonyl)-2-nitrophenyl)leucine, 2-[4-(Azepane-1-sulfonyl)-2-nitro-phenylamino]-4-methyl-pentanoic acid, 2-[4-(azepan-1-ylsulfonyl)-2-nitroanilino]-4-methylpentanoic acid, 2-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]amino]-4-methyl-pentanoic Acid
| Molecular Formula | C18H27N3O6S |
|---|---|
| Molecular Weight | 413.16 g/mol |
| LogP | 3.0707 |
| Topological Polar Surface Area | 129.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 413.16205 |
| Heavy Atoms | 28 |
| Complexity | 816.60986 |
Chemical Identifiers
| CAS Number | 1396966-68-9 |
|---|---|
| SMILES | CC(C)CC(C(=O)O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)[N+](=O)[O-] |
Product Overview
2-{[4-(Azepane-1-sulfonyl)-2-nitrophenyl]amino}-4-methylpentanoic acid (CAS 1396966-68-9), with molecular formula C18H27N3O6S and molecular weight 413.16 g/mol. IUPAC: 2-[4-(azepan-1-ylsulfonyl)-2-nitroanilino]-4-methylpentanoic acid.
Chemical Property Profile of 2-{[4-(Azepane-1-sulfonyl)-2-nitrophenyl]amino}-4-methylpentanoic acid
Property Insights of 2-{[4-(Azepane-1-sulfonyl)-2-nitrophenyl]amino}-4-methylpentanoic acid
The XLogP value of 3.0707 indicates that 2-{[4-(Azepane-1-sulfonyl)-2-nitrophenyl]amino}-4-methylpentanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-(Azepane-1-sulfonyl)-2-nitrophenyl]amino}-4-methylpentanoic acid. Following Lipinski's Rule of Five, 2-{[4-(Azepane-1-sulfonyl)-2-nitrophenyl]amino}-4-methylpentanoic acid has 2 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 2-{[4-(Azepane-1-sulfonyl)-2-nitrophenyl]amino}-4-methylpentanoic acid?
The CAS number of 2-{[4-(Azepane-1-sulfonyl)-2-nitrophenyl]amino}-4-methylpentanoic acid is 1396966-68-9.
What is the molecular formula of 2-{[4-(Azepane-1-sulfonyl)-2-nitrophenyl]amino}-4-methylpentanoic acid?
The molecular formula of 2-{[4-(Azepane-1-sulfonyl)-2-nitrophenyl]amino}-4-methylpentanoic acid is C18H27N3O6S.
What is the molecular weight of 2-{[4-(Azepane-1-sulfonyl)-2-nitrophenyl]amino}-4-methylpentanoic acid?
The molecular weight of 2-{[4-(Azepane-1-sulfonyl)-2-nitrophenyl]amino}-4-methylpentanoic acid is 413.16 g/mol.
Where can I buy 2-{[4-(Azepane-1-sulfonyl)-2-nitrophenyl]amino}-4-methylpentanoic acid?
You can request a quote for 2-{[4-(Azepane-1-sulfonyl)-2-nitrophenyl]amino}-4-methylpentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-(Azepane-1-sulfonyl)-2-nitrophenyl]amino}-4-methylpentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(Azepane-1-sulfonyl)-2-nitrophenyl]amino}-4-methylpentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.