![2-[(3,5-Dinitrothiophen-2-yl)amino]butanedioic acid structure](/static/products/3779/37791-31-4.webp)
2-[(3,5-Dinitrothiophen-2-yl)amino]butanedioic acid
TL;DR: 2-[(3,5-Dinitrothiophen-2-yl)amino]butanedioic acid (CAS 37791-31-4) is a chemical compound with molecular formula C8H7N3O8S and molecular weight 305.00 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]butanedioic acid
Also Known As: 2-[(3,5-dinitrothiophen-2-yl)amino]butanedioic acid, N-(3,5-Dinitrothiophen-2-yl)aspartic acid
| Molecular Formula | C8H7N3O8S |
|---|---|
| Molecular Weight | 305.00 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 207.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.9954 |
| Heavy Atoms | 20 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 37791-31-4 |
|---|---|
| SMILES | C1=C(SC(=C1[N+](=O)[O-])NC(CC(=O)O)C(=O)O)[N+](=O)[O-] |
| InChIKey | WUUDGPNDGWCIQN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[(3,5-Dinitrothiophen-2-yl)amino]butanedioic acid (CAS 37791-31-4), with molecular formula C8H7N3O8S and molecular weight 305.00 g/mol. IUPAC: 2-[(3,5-dinitrothiophen-2-yl)amino]butanedioic acid.
Chemical Property Profile of 2-[(3,5-Dinitrothiophen-2-yl)amino]butanedioic acid
Property Insights of 2-[(3,5-Dinitrothiophen-2-yl)amino]butanedioic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3,5-Dinitrothiophen-2-yl)amino]butanedioic acid. The TPSA of 207.0 Ų indicates high polarity, suggesting 2-[(3,5-Dinitrothiophen-2-yl)amino]butanedioic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[(3,5-Dinitrothiophen-2-yl)amino]butanedioic acid has 3 hydrogen bond donor(s) and 10 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-[(3,5-Dinitrothiophen-2-yl)amino]butanedioic acid?
The CAS number of 2-[(3,5-Dinitrothiophen-2-yl)amino]butanedioic acid is 37791-31-4.
What is the molecular formula of 2-[(3,5-Dinitrothiophen-2-yl)amino]butanedioic acid?
The molecular formula of 2-[(3,5-Dinitrothiophen-2-yl)amino]butanedioic acid is C8H7N3O8S.
What is the molecular weight of 2-[(3,5-Dinitrothiophen-2-yl)amino]butanedioic acid?
The molecular weight of 2-[(3,5-Dinitrothiophen-2-yl)amino]butanedioic acid is 305.00 g/mol.
Where can I buy 2-[(3,5-Dinitrothiophen-2-yl)amino]butanedioic acid?
You can request a quote for 2-[(3,5-Dinitrothiophen-2-yl)amino]butanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3,5-Dinitrothiophen-2-yl)amino]butanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3,5-Dinitrothiophen-2-yl)amino]butanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.