N,N,1-trimethyl-5-phenyl-1lambda4-thia-2,3,4-triazacyclopenta-1,3-dien-5-amine
TL;DR: N,N,1-trimethyl-5-phenyl-1lambda4-thia-2,3,4-triazacyclopenta-1,3-dien-5-amine (CAS 52460-49-8) is a chemical compound with molecular formula C10H14N4S and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N,1-trimethyl-5-phenyl-1λ4-thia-2,3,4-triazacyclopenta-1,3-dien-5-amine
Also Known As: N,N,1-trimethyl-5-phenyl-1, N,N,1-trimethyl-5-phenyl-1lambda4-thia-2,3,4-triazacyclopenta-1,3, N,N,1-Trimethyl-5-phenyl-5H-1lambda~4~,2,3,4-thiatriazol-5-amine, N,N,1-trimethyl-5-phenyl-1lambda4-thia-2,3,4-triazacyclopenta-1,3-dien-5-amine
| Molecular Formula | C10H14N4S |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 59.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.09392 |
| Heavy Atoms | 15 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 52460-49-8 |
|---|---|
| SMILES | CN(C)C1(N=NN=S1C)C2=CC=CC=C2 |
| InChIKey | VPPDVHTXDTUILY-UHFFFAOYSA-N |
Product Overview
N,N,1-trimethyl-5-phenyl-1lambda4-thia-2,3,4-triazacyclopenta-1,3-dien-5-amine (CAS 52460-49-8), with molecular formula C10H14N4S and molecular weight 222.09 g/mol. IUPAC: N,N,1-trimethyl-5-phenyl-1λ4-thia-2,3,4-triazacyclopenta-1,3-dien-5-amine.
Chemical Property Profile of N,N,1-trimethyl-5-phenyl-1lambda4-thia-2,3,4-triazacyclopenta-1,3-dien-5-amine
Property Insights of N,N,1-trimethyl-5-phenyl-1lambda4-thia-2,3,4-triazacyclopenta-1,3-dien-5-amine
The XLogP value of 3.3 indicates that N,N,1-trimethyl-5-phenyl-1lambda4-thia-2,3,4-triazacyclopenta-1,3-dien-5-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.5 Ų, N,N,1-trimethyl-5-phenyl-1lambda4-thia-2,3,4-triazacyclopenta-1,3-dien-5-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N,1-trimethyl-5-phenyl-1lambda4-thia-2,3,4-triazacyclopenta-1,3-dien-5-amine has 0 hydrogen bond donor(s) and 5 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 N,N,1-trimethyl-5-phenyl-1lambda4-thia-2,3,4-triazacyclopenta-1,3-dien-5-amine?
The CAS number of N,N,1-trimethyl-5-phenyl-1lambda4-thia-2,3,4-triazacyclopenta-1,3-dien-5-amine is 52460-49-8.
What is the molecular formula of N,N,1-trimethyl-5-phenyl-1lambda4-thia-2,3,4-triazacyclopenta-1,3-dien-5-amine?
The molecular formula of N,N,1-trimethyl-5-phenyl-1lambda4-thia-2,3,4-triazacyclopenta-1,3-dien-5-amine is C10H14N4S.
What is the molecular weight of N,N,1-trimethyl-5-phenyl-1lambda4-thia-2,3,4-triazacyclopenta-1,3-dien-5-amine?
The molecular weight of N,N,1-trimethyl-5-phenyl-1lambda4-thia-2,3,4-triazacyclopenta-1,3-dien-5-amine is 222.09 g/mol.
Where can I buy N,N,1-trimethyl-5-phenyl-1lambda4-thia-2,3,4-triazacyclopenta-1,3-dien-5-amine?
You can request a quote for N,N,1-trimethyl-5-phenyl-1lambda4-thia-2,3,4-triazacyclopenta-1,3-dien-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N,1-trimethyl-5-phenyl-1lambda4-thia-2,3,4-triazacyclopenta-1,3-dien-5-amine?
Yes, KEHONG BIO provides custom synthesis services for N,N,1-trimethyl-5-phenyl-1lambda4-thia-2,3,4-triazacyclopenta-1,3-dien-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.