4,4'-(3-Amino-2,5-thienediyl)dibutanoic acid
TL;DR: 4,4'-(3-Amino-2,5-thienediyl)dibutanoic acid (CAS 58632-01-2) is a chemical compound with molecular formula C12H17NO4S and molecular weight 271.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-amino-5-(3-carboxypropyl)thiophen-2-yl]butanoic acid
Also Known As: ChemDiv2_000028, 4,4'-(3-Amino-2,5-thienediyl)dibutanoic acid, 4,4'-(3-aminothiene-2,5-diyl)dibutanoic acid, 4,4'-(3-aminothiophene-2,5-diyl)dibutanoic acid, 4-[4-amino-5-(4-hydroxy-4-oxobutyl)thiophen-2-yl]butanoic acid
| Molecular Formula | C12H17NO4S |
|---|---|
| Molecular Weight | 271.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 271.08783 |
| Heavy Atoms | 18 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 58632-01-2 |
|---|---|
| SMILES | C1=C(SC(=C1N)CCCC(=O)O)CCCC(=O)O |
| InChIKey | CEEXYAKTSAABMO-UHFFFAOYSA-N |
Product Overview
4,4'-(3-Amino-2,5-thienediyl)dibutanoic acid (CAS 58632-01-2), with molecular formula C12H17NO4S and molecular weight 271.09 g/mol. IUPAC: 4-[4-amino-5-(3-carboxypropyl)thiophen-2-yl]butanoic acid.
Chemical Property Profile of 4,4'-(3-Amino-2,5-thienediyl)dibutanoic acid
Property Insights of 4,4'-(3-Amino-2,5-thienediyl)dibutanoic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-(3-Amino-2,5-thienediyl)dibutanoic acid. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-(3-Amino-2,5-thienediyl)dibutanoic acid. Following Lipinski's Rule of Five, 4,4'-(3-Amino-2,5-thienediyl)dibutanoic acid has 3 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 4,4'-(3-Amino-2,5-thienediyl)dibutanoic acid?
The CAS number of 4,4'-(3-Amino-2,5-thienediyl)dibutanoic acid is 58632-01-2.
What is the molecular formula of 4,4'-(3-Amino-2,5-thienediyl)dibutanoic acid?
The molecular formula of 4,4'-(3-Amino-2,5-thienediyl)dibutanoic acid is C12H17NO4S.
What is the molecular weight of 4,4'-(3-Amino-2,5-thienediyl)dibutanoic acid?
The molecular weight of 4,4'-(3-Amino-2,5-thienediyl)dibutanoic acid is 271.09 g/mol.
Where can I buy 4,4'-(3-Amino-2,5-thienediyl)dibutanoic acid?
You can request a quote for 4,4'-(3-Amino-2,5-thienediyl)dibutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-(3-Amino-2,5-thienediyl)dibutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-(3-Amino-2,5-thienediyl)dibutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.