J1.615.112B
TL;DR: J1.615.112B (CAS 30863-06-0) is a chemical compound with molecular formula C13H20ClN5S4 and molecular weight 409.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-chloro-6-(diethylcarbamothioylsulfanyl)-1,3,5-triazin-2-yl] N,N-diethylcarbamodithioate
Also Known As: J1.615.112B, 6-CHLORO-S-TRIAZINE-2,4-DIYL DIETHYLDITHIOCARBA*, [4-chloro-6-(diethylcarbamothioylsulfanyl)-1,3,5-triazin-2-yl] N,N-diethylcarbamodithioate, 6-chloro-1,3,5-triazine-2,4-diyl bis(diethylcarbamodithioate), Bis(diethyldithiocarbamic acid)6-chloro-s-triazine-2,4-diyl ester
| Molecular Formula | C13H20ClN5S4 |
|---|---|
| Molecular Weight | 409.03 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 409.02902 |
| Heavy Atoms | 23 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 30863-06-0 |
|---|---|
| SMILES | CCN(CC)C(=S)SC1=NC(=NC(=N1)Cl)SC(=S)N(CC)CC |
| InChIKey | AUXDXNKROYGKLS-UHFFFAOYSA-N |
Product Overview
J1.615.112B (CAS 30863-06-0), with molecular formula C13H20ClN5S4 and molecular weight 409.03 g/mol. IUPAC: [4-chloro-6-(diethylcarbamothioylsulfanyl)-1,3,5-triazin-2-yl] N,N-diethylcarbamodithioate.
Chemical Property Profile of J1.615.112B
Property Insights of J1.615.112B
The XLogP value of 4.9 indicates that J1.615.112B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 160.0 Ų indicates high polarity, suggesting J1.615.112B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, J1.615.112B has 0 hydrogen bond donor(s) and 7 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 J1.615.112B?
The CAS number of J1.615.112B is 30863-06-0.
What is the molecular formula of J1.615.112B?
The molecular formula of J1.615.112B is C13H20ClN5S4.
What is the molecular weight of J1.615.112B?
The molecular weight of J1.615.112B is 409.03 g/mol.
Where can I buy J1.615.112B?
You can request a quote for J1.615.112B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.615.112B?
Yes, KEHONG BIO provides custom synthesis services for J1.615.112B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.