3-[2-N-(Biotinyl)aminoethyldithio]propanoic Acid
TL;DR: 3-[2-N-(Biotinyl)aminoethyldithio]propanoic Acid (CAS 104582-29-8) is a chemical compound with molecular formula C15H25N3O4S3 and molecular weight 407.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethyldisulfanyl]propanoic acid
Also Known As: 3-[2-N-(Biotinyl)aminoethyldithio]propanoic Acid, 3-((2-(5-((3AS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)ethyl)disulfanyl)propanoic acid, 3-[2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethyldisulfanyl]propanoic acid, 3-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethyldisulfanyl]propanoic acid
| Molecular Formula | C15H25N3O4S3 |
|---|---|
| Molecular Weight | 407.10 g/mol |
| LogP | 1.6845 |
| Topological Polar Surface Area | 107.53 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 407.1007 |
| Heavy Atoms | 25 |
| Complexity | 480.93793 |
Chemical Identifiers
| CAS Number | 104582-29-8 |
|---|---|
| SMILES | C1C2C(C(S1)CCCCC(=O)NCCSSCCC(=O)O)NC(=O)N2 |
Product Overview
3-[2-N-(Biotinyl)aminoethyldithio]propanoic Acid (CAS 104582-29-8), with molecular formula C15H25N3O4S3 and molecular weight 407.10 g/mol. IUPAC: 3-[2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethyldisulfanyl]propanoic acid.
Chemical Property Profile of 3-[2-N-(Biotinyl)aminoethyldithio]propanoic Acid
Property Insights of 3-[2-N-(Biotinyl)aminoethyldithio]propanoic Acid
The XLogP value of 1.6845 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-N-(Biotinyl)aminoethyldithio]propanoic Acid. The TPSA of 107.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-N-(Biotinyl)aminoethyldithio]propanoic Acid. Following Lipinski's Rule of Five, 3-[2-N-(Biotinyl)aminoethyldithio]propanoic Acid has 4 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 3-[2-N-(Biotinyl)aminoethyldithio]propanoic Acid?
The CAS number of 3-[2-N-(Biotinyl)aminoethyldithio]propanoic Acid is 104582-29-8.
What is the molecular formula of 3-[2-N-(Biotinyl)aminoethyldithio]propanoic Acid?
The molecular formula of 3-[2-N-(Biotinyl)aminoethyldithio]propanoic Acid is C15H25N3O4S3.
What is the molecular weight of 3-[2-N-(Biotinyl)aminoethyldithio]propanoic Acid?
The molecular weight of 3-[2-N-(Biotinyl)aminoethyldithio]propanoic Acid is 407.10 g/mol.
Where can I buy 3-[2-N-(Biotinyl)aminoethyldithio]propanoic Acid?
You can request a quote for 3-[2-N-(Biotinyl)aminoethyldithio]propanoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-N-(Biotinyl)aminoethyldithio]propanoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-N-(Biotinyl)aminoethyldithio]propanoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.