NCI60_006621
TL;DR: NCI60_006621 (CAS 906440-63-9) is a chemical compound with molecular formula C18H21N3S2 and molecular weight 343.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N,N-dimethyl-N'-(C-methylsulfanyl-N-phenylcarbonimidoyl)carbamimidothioate
Also Known As: NCI60_006621, Benzyl N,N-dimethyl-N'-((methylthio)(phenylimino)methyl)carbamimidothioate, 2-benzyl-1,1-dimethyl-3-[C-(methylthio)-N-phenyl-carbonimidoyl]isothiourea;hydroiodide, benzyl N,N-dimethyl-N'-(C-methylsulfanyl-N-phenylcarbonimidoyl)carbamimidothioate, N,N-DIMETHYL-N'-[(METHYLSULFANYL)(PHENYLIMINO)METHYL](BENZYLSULFANYL)METHANIMIDAMIDE
| Molecular Formula | C18H21N3S2 |
|---|---|
| Molecular Weight | 343.12 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 78.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 343.11768 |
| Heavy Atoms | 23 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 906440-63-9 |
|---|---|
| SMILES | CN(C)C(=NC(=NC1=CC=CC=C1)SC)SCC2=CC=CC=C2 |
| InChIKey | ZSMIAGRBYIUYAJ-UHFFFAOYSA-N |
Product Overview
NCI60_006621 (CAS 906440-63-9), with molecular formula C18H21N3S2 and molecular weight 343.12 g/mol. IUPAC: benzyl N,N-dimethyl-N'-(C-methylsulfanyl-N-phenylcarbonimidoyl)carbamimidothioate.
Chemical Property Profile of NCI60_006621
Property Insights of NCI60_006621
The XLogP value of 5.0 indicates that NCI60_006621 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.6 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_006621. Following Lipinski's Rule of Five, NCI60_006621 has 0 hydrogen bond donor(s) and 3 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 NCI60_006621?
The CAS number of NCI60_006621 is 906440-63-9.
What is the molecular formula of NCI60_006621?
The molecular formula of NCI60_006621 is C18H21N3S2.
What is the molecular weight of NCI60_006621?
The molecular weight of NCI60_006621 is 343.12 g/mol.
Where can I buy NCI60_006621?
You can request a quote for NCI60_006621 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_006621?
Yes, KEHONG BIO provides custom synthesis services for NCI60_006621 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.