Nitrosobiotin
TL;DR: Nitrosobiotin (CAS 51591-87-8) is a chemical compound with molecular formula C10H15N3O4S and molecular weight 273.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3aR,6S,6aS)-3-nitroso-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl]pentanoic acid
Also Known As: Nitrosobiotin, Biotin Impurity 15, 1'-Nitrosobiotin, Nitroso-Biotin, 1'-Nitroso Biotin
| Molecular Formula | C10H15N3O4S |
|---|---|
| Molecular Weight | 273.08 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.07834 |
| Heavy Atoms | 18 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 51591-87-8 |
|---|---|
| SMILES | C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2N=O |
| InChIKey | IFUXQNNMTPBRPW-ZKWXMUAHSA-N |
Product Overview
Nitrosobiotin (CAS 51591-87-8), with molecular formula C10H15N3O4S and molecular weight 273.08 g/mol. IUPAC: 5-[(3aR,6S,6aS)-3-nitroso-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl]pentanoic acid.
Chemical Property Profile of Nitrosobiotin
Property Insights of Nitrosobiotin
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nitrosobiotin. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nitrosobiotin. Following Lipinski's Rule of Five, Nitrosobiotin has 2 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 Nitrosobiotin?
The CAS number of Nitrosobiotin is 51591-87-8.
What is the molecular formula of Nitrosobiotin?
The molecular formula of Nitrosobiotin is C10H15N3O4S.
What is the molecular weight of Nitrosobiotin?
The molecular weight of Nitrosobiotin is 273.08 g/mol.
Where can I buy Nitrosobiotin?
You can request a quote for Nitrosobiotin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitrosobiotin?
Yes, KEHONG BIO provides custom synthesis services for Nitrosobiotin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.