NB 598
TL;DR: NB 598 (CAS 131060-14-5) is a chemical compound with molecular formula C27H31NOS2 and molecular weight 449.1847 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-N-ethyl-6,6-dimethyl-N-[[3-[(4-thiophen-3-ylthiophen-2-yl)methoxy]phenyl]methyl]hept-2-en-4-yn-1-amine
Also Known As: Dermolastin, NB 598, NB598, EX-A1748, 3914AH
Technical Specifications
| Molecular Formula | C27H31NOS2 |
| Molecular Weight | 449.1847 g/mol |
| XLogP | 7.2 |
| Topological Polar Surface Area (TPSA) | 69.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 449.1847 Da |
| Heavy Atoms | 31 |
| Complexity | 628.0 |
| SMILES | CCN(C/C=C/C#CC(C)(C)C)CC1=CC(=CC=C1)OCC2=CC(=CS2)C3=CSC=C3 |
| InChIKey | KIRGLCXNEVICOG-SOFGYWHQSA-N |
Chemical Property Profile of NB 598
Property Insights of NB 598
The XLogP value of 7.2 indicates that NB 598 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NB 598. Following Lipinski's Rule of Five, NB 598 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of NB 598?
The CAS number of NB 598 is 131060-14-5.
What is the molecular formula of NB 598?
The molecular formula of NB 598 is C27H31NOS2.
What is the molecular weight of NB 598?
The molecular weight of NB 598 is 449.1847 g/mol.
Where can I buy NB 598?
You can request a quote for NB 598 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for NB 598?
Yes, CoreyChem provides custom synthesis services for NB 598 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.