N-(3,5-Dinitrothiophen-2-yl)valine
TL;DR: N-(3,5-Dinitrothiophen-2-yl)valine (CAS 37791-27-8) is a chemical compound with molecular formula C9H11N3O6S and molecular weight 289.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,5-dinitrothiophen-2-yl)amino]-3-methylbutanoic acid
Also Known As: N-(3,5-Dinitrothiophen-2-yl)valine, 2-[(3,5-dinitrothiophen-2-yl)amino]-3-methylbutanoic acid, 2-[(3,5-dinitrothiophen-2-yl)amino]-3-methyl-butanoic acid, 2-(3,5-DINITRO-THIOPHEN-2-YLAMINO)-3-METHYL-BUTYRIC ACID
| Molecular Formula | C9H11N3O6S |
|---|---|
| Molecular Weight | 289.04 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.03687 |
| Heavy Atoms | 19 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 37791-27-8 |
|---|---|
| SMILES | CC(C)C(C(=O)O)NC1=C(C=C(S1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | LMBQXNOXQFXFJT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(3,5-Dinitrothiophen-2-yl)valine (CAS 37791-27-8), with molecular formula C9H11N3O6S and molecular weight 289.04 g/mol. IUPAC: 2-[(3,5-dinitrothiophen-2-yl)amino]-3-methylbutanoic acid.
Chemical Property Profile of N-(3,5-Dinitrothiophen-2-yl)valine
Property Insights of N-(3,5-Dinitrothiophen-2-yl)valine
The XLogP value of 3.4 indicates that N-(3,5-Dinitrothiophen-2-yl)valine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 169.0 Ų indicates high polarity, suggesting N-(3,5-Dinitrothiophen-2-yl)valine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(3,5-Dinitrothiophen-2-yl)valine has 2 hydrogen bond donor(s) and 8 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-(3,5-Dinitrothiophen-2-yl)valine?
The CAS number of N-(3,5-Dinitrothiophen-2-yl)valine is 37791-27-8.
What is the molecular formula of N-(3,5-Dinitrothiophen-2-yl)valine?
The molecular formula of N-(3,5-Dinitrothiophen-2-yl)valine is C9H11N3O6S.
What is the molecular weight of N-(3,5-Dinitrothiophen-2-yl)valine?
The molecular weight of N-(3,5-Dinitrothiophen-2-yl)valine is 289.04 g/mol.
Where can I buy N-(3,5-Dinitrothiophen-2-yl)valine?
You can request a quote for N-(3,5-Dinitrothiophen-2-yl)valine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,5-Dinitrothiophen-2-yl)valine?
Yes, KEHONG BIO provides custom synthesis services for N-(3,5-Dinitrothiophen-2-yl)valine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.