Bisnorbiotin
TL;DR: Bisnorbiotin (CAS 16968-98-2) is a chemical compound with molecular formula C8H12N2O3S and molecular weight 216.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]propanoic acid
Also Known As: Bisnorbiotin, d-Allobisnorbiotin, 3-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]propanoic acid, 1H-Thieno[3,4-d]imidazole-4-propanoicacid, hexahydro-2-oxo-, (3aS,4S,6aR)-, 3-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]propanoic acid
| Molecular Formula | C8H12N2O3S |
|---|---|
| Molecular Weight | 216.06 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.05687 |
| Heavy Atoms | 14 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 16968-98-2 |
|---|---|
| SMILES | C1[C@H]2[C@@H]([C@@H](S1)CCC(=O)O)NC(=O)N2 |
| InChIKey | QDFGCLSCEPNVQP-VPLCAKHXSA-N |
Product Overview
Bisnorbiotin (CAS 16968-98-2), with molecular formula C8H12N2O3S and molecular weight 216.06 g/mol. IUPAC: 3-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]propanoic acid.
Chemical Property Profile of Bisnorbiotin
Property Insights of Bisnorbiotin
The XLogP value of -0.4 indicates that Bisnorbiotin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bisnorbiotin. Following Lipinski's Rule of Five, Bisnorbiotin 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 Bisnorbiotin?
The CAS number of Bisnorbiotin is 16968-98-2.
What is the molecular formula of Bisnorbiotin?
The molecular formula of Bisnorbiotin is C8H12N2O3S.
What is the molecular weight of Bisnorbiotin?
The molecular weight of Bisnorbiotin is 216.06 g/mol.
Where can I buy Bisnorbiotin?
You can request a quote for Bisnorbiotin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bisnorbiotin?
Yes, KEHONG BIO provides custom synthesis services for Bisnorbiotin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.