5-((3AS,4R,6AR)-2-Oxohexahydro-1H-thieno(3,4-D)imidazol-4-YL)pentanoic acid
TL;DR: 5-((3AS,4R,6AR)-2-Oxohexahydro-1H-thieno(3,4-D)imidazol-4-YL)pentanoic acid (CAS 22879-79-4) is a chemical compound with molecular formula C10H16N2O3S and molecular weight 244.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3aS,4R,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
Also Known As: biotin, r-biotin, vitamin H, EPI-BIOTIN, Vitamin B7
| Molecular Formula | C10H16N2O3S |
|---|---|
| Molecular Weight | 244.09 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 244.08817 |
| Heavy Atoms | 16 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 22879-79-4 |
|---|---|
| SMILES | C1[C@H]2[C@@H]([C@H](S1)CCCCC(=O)O)NC(=O)N2 |
| InChIKey | YBJHBAHKTGYVGT-OOZYFLPDSA-N |
Product Overview
5-((3AS,4R,6AR)-2-Oxohexahydro-1H-thieno(3,4-D)imidazol-4-YL)pentanoic acid (CAS 22879-79-4), with molecular formula C10H16N2O3S and molecular weight 244.09 g/mol. IUPAC: 5-[(3aS,4R,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid.
Chemical Property Profile of 5-((3AS,4R,6AR)-2-Oxohexahydro-1H-thieno(3,4-D)imidazol-4-YL)pentanoic acid
Property Insights of 5-((3AS,4R,6AR)-2-Oxohexahydro-1H-thieno(3,4-D)imidazol-4-YL)pentanoic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-((3AS,4R,6AR)-2-Oxohexahydro-1H-thieno(3,4-D)imidazol-4-YL)pentanoic acid. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((3AS,4R,6AR)-2-Oxohexahydro-1H-thieno(3,4-D)imidazol-4-YL)pentanoic acid. Following Lipinski's Rule of Five, 5-((3AS,4R,6AR)-2-Oxohexahydro-1H-thieno(3,4-D)imidazol-4-YL)pentanoic acid has 3 hydrogen bond donor(s) and 4 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 5-((3AS,4R,6AR)-2-Oxohexahydro-1H-thieno(3,4-D)imidazol-4-YL)pentanoic acid?
The CAS number of 5-((3AS,4R,6AR)-2-Oxohexahydro-1H-thieno(3,4-D)imidazol-4-YL)pentanoic acid is 22879-79-4.
What is the molecular formula of 5-((3AS,4R,6AR)-2-Oxohexahydro-1H-thieno(3,4-D)imidazol-4-YL)pentanoic acid?
The molecular formula of 5-((3AS,4R,6AR)-2-Oxohexahydro-1H-thieno(3,4-D)imidazol-4-YL)pentanoic acid is C10H16N2O3S.
What is the molecular weight of 5-((3AS,4R,6AR)-2-Oxohexahydro-1H-thieno(3,4-D)imidazol-4-YL)pentanoic acid?
The molecular weight of 5-((3AS,4R,6AR)-2-Oxohexahydro-1H-thieno(3,4-D)imidazol-4-YL)pentanoic acid is 244.09 g/mol.
Where can I buy 5-((3AS,4R,6AR)-2-Oxohexahydro-1H-thieno(3,4-D)imidazol-4-YL)pentanoic acid?
You can request a quote for 5-((3AS,4R,6AR)-2-Oxohexahydro-1H-thieno(3,4-D)imidazol-4-YL)pentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((3AS,4R,6AR)-2-Oxohexahydro-1H-thieno(3,4-D)imidazol-4-YL)pentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-((3AS,4R,6AR)-2-Oxohexahydro-1H-thieno(3,4-D)imidazol-4-YL)pentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.