DBD-PyNCS
TL;DR: DBD-PyNCS (CAS 163927-31-9) is a chemical compound with molecular formula C13H15N5O3S2 and molecular weight 353.06165 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-(3-isothiocyanatopyrrolidin-1-yl)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
Also Known As: DBD-PyNCS, (S)-(+)-DBD-Py-NCS, (R)-(-)-DBD-Py-NCS, 7-(3-isothiocyanatopyrrolidin-1-yl)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide, (S)-7-(3-Isothiocyanatopyrrolidin-1-yl)-N,N-dimethylbenzo[c][1,2,5]oxadiazole-4-sulfonamide
Technical Specifications
| Molecular Formula | C13H15N5O3S2 |
| Molecular Weight | 353.06165 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.06165 Da |
| Heavy Atoms | 23 |
| Complexity | 587.0 |
| SMILES | CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N3CCC(C3)N=C=S |
| InChIKey | YMXYIIXTKUQWPC-UHFFFAOYSA-N |
Chemical Property Profile of DBD-PyNCS
Property Insights of DBD-PyNCS
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DBD-PyNCS. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for DBD-PyNCS. Following Lipinski's Rule of Five, DBD-PyNCS has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of DBD-PyNCS?
The CAS number of DBD-PyNCS is 163927-31-9.
What is the molecular formula of DBD-PyNCS?
The molecular formula of DBD-PyNCS is C13H15N5O3S2.
What is the molecular weight of DBD-PyNCS?
The molecular weight of DBD-PyNCS is 353.06165 g/mol.
Where can I buy DBD-PyNCS?
You can request a quote for DBD-PyNCS directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for DBD-PyNCS?
Yes, CoreyChem provides custom synthesis services for DBD-PyNCS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.