IBD 78
TL;DR: IBD 78 (CAS 10083-53-1) is a chemical compound with molecular formula C17H19NS and molecular weight 269.1238 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-methyl-3-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propan-1-amine
Also Known As: IBD 78, 3-(9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)-N-methyl-1-propanamine
Technical Specifications
| Molecular Formula | C17H19NS |
| Molecular Weight | 269.1238 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 40.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.1238 Da |
| Heavy Atoms | 19 |
| Complexity | 325.0 |
| SMILES | CNCCC=C1C2=C(CCC3=CC=CC=C31)SC=C2 |
| InChIKey | RDBMZAMQBNYOIJ-UHFFFAOYSA-N |
Chemical Property Profile of IBD 78
Property Insights of IBD 78
The XLogP value of 3.7 indicates that IBD 78 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.3 Ų, IBD 78 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IBD 78 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of IBD 78?
The CAS number of IBD 78 is 10083-53-1.
What is the molecular formula of IBD 78?
The molecular formula of IBD 78 is C17H19NS.
What is the molecular weight of IBD 78?
The molecular weight of IBD 78 is 269.1238 g/mol.
Where can I buy IBD 78?
You can request a quote for IBD 78 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for IBD 78?
Yes, CoreyChem provides custom synthesis services for IBD 78 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.