RefChem:340621
TL;DR: RefChem:340621 (CAS 68789-93-5) is a chemical compound with molecular formula C14H20N6O4S4 and molecular weight 464.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyanoethyl (1Z)-N-[[[[(Z)-1-(2-cyanoethylsulfanyl)ethylideneamino]oxycarbonyl-methylamino]disulfanyl]-methylcarbamoyl]oxyethanimidothioate
Also Known As: Bis(2-cyanoethyl) N,N'-(dithiobis((methylimino)carbonyloxy))diethanimidothioate, Ethanimidothioic acid, N,N'-(dithiobis((methylimino)carbonyloxy))bis-, bis(2-cyanoethyl) ester, RefChem:340621
| Molecular Formula | C14H20N6O4S4 |
|---|---|
| Molecular Weight | 464.04 g/mol |
| LogP | 4.29516 |
| Topological Polar Surface Area | 131.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 464.04288 |
| Heavy Atoms | 28 |
| Complexity | 605.1974 |
Chemical Identifiers
| CAS Number | 68789-93-5 |
|---|---|
| SMILES | C/C(=N/OC(=O)N(SSN(C(=O)O/N=C(\SCCC#N)/C)C)C)/SCCC#N |
Product Overview
RefChem:340621 (CAS 68789-93-5), with molecular formula C14H20N6O4S4 and molecular weight 464.04 g/mol. IUPAC: 2-cyanoethyl (1Z)-N-[[[[(Z)-1-(2-cyanoethylsulfanyl)ethylideneamino]oxycarbonyl-methylamino]disulfanyl]-methylcarbamoyl]oxyethanimidothioate.
Chemical Property Profile of RefChem:340621
Property Insights of RefChem:340621
The XLogP value of 4.29516 indicates that RefChem:340621 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.38 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:340621. Following Lipinski's Rule of Five, RefChem:340621 has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:340621?
The CAS number of RefChem:340621 is 68789-93-5.
What is the molecular formula of RefChem:340621?
The molecular formula of RefChem:340621 is C14H20N6O4S4.
What is the molecular weight of RefChem:340621?
The molecular weight of RefChem:340621 is 464.04 g/mol.
Where can I buy RefChem:340621?
You can request a quote for RefChem:340621 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:340621?
Yes, KEHONG BIO provides custom synthesis services for RefChem:340621 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.