(4-Cyclohexyl-4-oxobutyl) carbamimidothioate;4-methylbenzenesulfonic acid
TL;DR: (4-Cyclohexyl-4-oxobutyl) carbamimidothioate;4-methylbenzenesulfonic acid (CAS 7496-67-5) is a chemical compound with molecular formula C18H28N2O4S2 and molecular weight 400.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyclohexyl-4-oxobutyl) carbamimidothioate;4-methylbenzenesulfonic acid
Also Known As: (4-cyclohexyl-4-oxobutyl) carbamimidothioate,4-methylbenzene, (4-cyclohexyl-4-oxobutyl) carbamimidothioate; 4-methylbenzenesulfonic acid, (4-Cyclohexyl-4-oxobutyl) carbamimidothioate;4-methylbenzenesulfonic acid, 4-Methylbenzene-1-sulfonic acid--4-cyclohexyl-4-oxobutyl carbamimidothioate (1/1)
| Molecular Formula | C18H28N2O4S2 |
|---|---|
| Molecular Weight | 400.15 g/mol |
| LogP | 3.78439 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.14905 |
| Heavy Atoms | 26 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 7496-67-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C1CCC(CC1)C(=O)CCCSC(=N)N |
| InChIKey | SBZVWWBNHMVMTD-UHFFFAOYSA-N |
Product Overview
(4-Cyclohexyl-4-oxobutyl) carbamimidothioate;4-methylbenzenesulfonic acid (CAS 7496-67-5), with molecular formula C18H28N2O4S2 and molecular weight 400.15 g/mol. IUPAC: (4-cyclohexyl-4-oxobutyl) carbamimidothioate;4-methylbenzenesulfonic acid.
Chemical Property Profile of (4-Cyclohexyl-4-oxobutyl) carbamimidothioate;4-methylbenzenesulfonic acid
Property Insights of (4-Cyclohexyl-4-oxobutyl) carbamimidothioate;4-methylbenzenesulfonic acid
The XLogP value of 3.78439 indicates that (4-Cyclohexyl-4-oxobutyl) carbamimidothioate;4-methylbenzenesulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting (4-Cyclohexyl-4-oxobutyl) carbamimidothioate;4-methylbenzenesulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (4-Cyclohexyl-4-oxobutyl) carbamimidothioate;4-methylbenzenesulfonic acid has 3 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 (4-Cyclohexyl-4-oxobutyl) carbamimidothioate;4-methylbenzenesulfonic acid?
The CAS number of (4-Cyclohexyl-4-oxobutyl) carbamimidothioate;4-methylbenzenesulfonic acid is 7496-67-5.
What is the molecular formula of (4-Cyclohexyl-4-oxobutyl) carbamimidothioate;4-methylbenzenesulfonic acid?
The molecular formula of (4-Cyclohexyl-4-oxobutyl) carbamimidothioate;4-methylbenzenesulfonic acid is C18H28N2O4S2.
What is the molecular weight of (4-Cyclohexyl-4-oxobutyl) carbamimidothioate;4-methylbenzenesulfonic acid?
The molecular weight of (4-Cyclohexyl-4-oxobutyl) carbamimidothioate;4-methylbenzenesulfonic acid is 400.15 g/mol.
Where can I buy (4-Cyclohexyl-4-oxobutyl) carbamimidothioate;4-methylbenzenesulfonic acid?
You can request a quote for (4-Cyclohexyl-4-oxobutyl) carbamimidothioate;4-methylbenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Cyclohexyl-4-oxobutyl) carbamimidothioate;4-methylbenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for (4-Cyclohexyl-4-oxobutyl) carbamimidothioate;4-methylbenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.