Bas 04061298
TL;DR: Bas 04061298 (CAS 58488-41-8) is a chemical compound with molecular formula C7H13N3S and molecular weight 171.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5,7-trimethyl-4,6-dihydro-2H-1,2,4-triazepine-3-thione
Also Known As: BAS 04061298, 5,5,7-trimethyl-4,6-dihydro-2H-1,2,4-triazepine-3-thione, J3.531.642F, 5,5,7-trimethyl-2,4,5,6-tetrahydro-3h-1,2,4-triazepine-3-thione, 5,5,7-trimethyl-3,4,5,6-tetrahydro-2H-1,2,4-triazepine-3-thione
| Molecular Formula | C7H13N3S |
|---|---|
| Molecular Weight | 171.08 g/mol |
| LogP | 1.0087 |
| Topological Polar Surface Area | 36.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 171.08302 |
| Heavy Atoms | 11 |
| Complexity | 207.73123 |
Chemical Identifiers
| CAS Number | 58488-41-8 |
|---|---|
| SMILES | CC1=NNC(=S)NC(C1)(C)C |
Product Overview
Bas 04061298 (CAS 58488-41-8), with molecular formula C7H13N3S and molecular weight 171.08 g/mol. IUPAC: 5,5,7-trimethyl-4,6-dihydro-2H-1,2,4-triazepine-3-thione.
Chemical Property Profile of Bas 04061298
Property Insights of Bas 04061298
The XLogP value of 1.0087 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bas 04061298. With a topological polar surface area (TPSA) of 36.42 Ų, Bas 04061298 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bas 04061298 has 2 hydrogen bond donor(s) and 2 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 Bas 04061298?
The CAS number of Bas 04061298 is 58488-41-8.
What is the molecular formula of Bas 04061298?
The molecular formula of Bas 04061298 is C7H13N3S.
What is the molecular weight of Bas 04061298?
The molecular weight of Bas 04061298 is 171.08 g/mol.
Where can I buy Bas 04061298?
You can request a quote for Bas 04061298 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bas 04061298?
Yes, KEHONG BIO provides custom synthesis services for Bas 04061298 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.