4-Heptyl-5-(heptylimino)-1,2,4-dithiazolidin-3-one
TL;DR: 4-Heptyl-5-(heptylimino)-1,2,4-dithiazolidin-3-one (CAS 5338-85-2) is a chemical compound with molecular formula C16H30N2OS2 and molecular weight 330.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-heptyl-5-heptylimino-1,2,4-dithiazolidin-3-one
Also Known As: 4-Heptyl-5-(heptylimino)-1,2,4-dithiazolidin-3-one, 4-heptyl-5-heptylimino-1,2,4-dithiazolidin-3-one, (5E)-4-heptyl-5-heptylimino-1,2,4-dithiazolidin-3-one
| Molecular Formula | C16H30N2OS2 |
|---|---|
| Molecular Weight | 330.18 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 83.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 330.17996 |
| Heavy Atoms | 21 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 5338-85-2 |
|---|---|
| SMILES | CCCCCCCN=C1N(C(=O)SS1)CCCCCCC |
| InChIKey | NOZPXJROUSNKIE-UHFFFAOYSA-N |
Product Overview
4-Heptyl-5-(heptylimino)-1,2,4-dithiazolidin-3-one (CAS 5338-85-2), with molecular formula C16H30N2OS2 and molecular weight 330.18 g/mol. IUPAC: 4-heptyl-5-heptylimino-1,2,4-dithiazolidin-3-one.
Chemical Property Profile of 4-Heptyl-5-(heptylimino)-1,2,4-dithiazolidin-3-one
Property Insights of 4-Heptyl-5-(heptylimino)-1,2,4-dithiazolidin-3-one
The XLogP value of 6.4 indicates that 4-Heptyl-5-(heptylimino)-1,2,4-dithiazolidin-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Heptyl-5-(heptylimino)-1,2,4-dithiazolidin-3-one. Following Lipinski's Rule of Five, 4-Heptyl-5-(heptylimino)-1,2,4-dithiazolidin-3-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Heptyl-5-(heptylimino)-1,2,4-dithiazolidin-3-one?
The CAS number of 4-Heptyl-5-(heptylimino)-1,2,4-dithiazolidin-3-one is 5338-85-2.
What is the molecular formula of 4-Heptyl-5-(heptylimino)-1,2,4-dithiazolidin-3-one?
The molecular formula of 4-Heptyl-5-(heptylimino)-1,2,4-dithiazolidin-3-one is C16H30N2OS2.
What is the molecular weight of 4-Heptyl-5-(heptylimino)-1,2,4-dithiazolidin-3-one?
The molecular weight of 4-Heptyl-5-(heptylimino)-1,2,4-dithiazolidin-3-one is 330.18 g/mol.
Where can I buy 4-Heptyl-5-(heptylimino)-1,2,4-dithiazolidin-3-one?
You can request a quote for 4-Heptyl-5-(heptylimino)-1,2,4-dithiazolidin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Heptyl-5-(heptylimino)-1,2,4-dithiazolidin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Heptyl-5-(heptylimino)-1,2,4-dithiazolidin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.