KV3GP62Ngy
TL;DR: KV3GP62Ngy (CAS 51593-13-6) is a chemical compound with molecular formula C14H16N6O2S4 and molecular weight 428.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-(dimethylcarbamothioylimino)-4-(4-nitrophenyl)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea
Also Known As: (3Z)-3-[(5Z)-5-(dimethylcarbamothioylimino)-4-(4-nitrophenyl, 3-[5-(dimethylcarbamothioylimino)-4-(4-nitrophenyl)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea, Thiourea, N',N'''-(4-(4-nitrophenyl)-1,2,4-dithiazolidine-3,5-diylidene)bis(N,N-dimethyl-
| Molecular Formula | C14H16N6O2S4 |
|---|---|
| Molecular Weight | 428.02 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 195.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 428.02176 |
| Heavy Atoms | 26 |
| Complexity | 600.0 |
Chemical Identifiers
| CAS Number | 51593-13-6 |
|---|---|
| SMILES | CN(C)C(=S)N=C1N(C(=NC(=S)N(C)C)SS1)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | ZRPIUNXNSNJTNS-UHFFFAOYSA-N |
Product Overview
KV3GP62Ngy (CAS 51593-13-6), with molecular formula C14H16N6O2S4 and molecular weight 428.02 g/mol. IUPAC: 3-[5-(dimethylcarbamothioylimino)-4-(4-nitrophenyl)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea.
Chemical Property Profile of KV3GP62Ngy
Property Insights of KV3GP62Ngy
The XLogP value of 3.3 indicates that KV3GP62Ngy is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 195.0 Ų indicates high polarity, suggesting KV3GP62Ngy may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, KV3GP62Ngy has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KV3GP62Ngy?
The CAS number of KV3GP62Ngy is 51593-13-6.
What is the molecular formula of KV3GP62Ngy?
The molecular formula of KV3GP62Ngy is C14H16N6O2S4.
What is the molecular weight of KV3GP62Ngy?
The molecular weight of KV3GP62Ngy is 428.02 g/mol.
Where can I buy KV3GP62Ngy?
You can request a quote for KV3GP62Ngy directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KV3GP62Ngy?
Yes, KEHONG BIO provides custom synthesis services for KV3GP62Ngy and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.