4-(N-(4-chlorobenzoyl)(thiocarbamoyl))morpholine
TL;DR: 4-(N-(4-chlorobenzoyl)(thiocarbamoyl))morpholine (CAS 34840-50-1) is a chemical compound with molecular formula C12H13ClN2O2S and molecular weight 284.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-(morpholine-4-carbothioyl)benzamide
Also Known As: BAS 01555861, 4-(N-(4-chlorobenzoyl)(thiocarbamoyl))morpholine, 4-chloro-N-(morpholine-4-carbothioyl)benzamide, J1.023.706H, N-[Morpholino(thiocarbonyl)]-4-chlorobenzamide
| Molecular Formula | C12H13ClN2O2S |
|---|---|
| Molecular Weight | 284.04 g/mol |
| LogP | 1.6869 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 284.03864 |
| Heavy Atoms | 18 |
| Complexity | 443.89557 |
Chemical Identifiers
| CAS Number | 34840-50-1 |
|---|---|
| SMILES | C1COCCN1C(=S)NC(=O)C2=CC=C(C=C2)Cl |
Product Overview
4-(N-(4-chlorobenzoyl)(thiocarbamoyl))morpholine (CAS 34840-50-1), with molecular formula C12H13ClN2O2S and molecular weight 284.04 g/mol. IUPAC: 4-chloro-N-(morpholine-4-carbothioyl)benzamide.
Chemical Property Profile of 4-(N-(4-chlorobenzoyl)(thiocarbamoyl))morpholine
Property Insights of 4-(N-(4-chlorobenzoyl)(thiocarbamoyl))morpholine
The XLogP value of 1.6869 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(N-(4-chlorobenzoyl)(thiocarbamoyl))morpholine. With a topological polar surface area (TPSA) of 41.57 Ų, 4-(N-(4-chlorobenzoyl)(thiocarbamoyl))morpholine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(N-(4-chlorobenzoyl)(thiocarbamoyl))morpholine has 1 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 4-(N-(4-chlorobenzoyl)(thiocarbamoyl))morpholine?
The CAS number of 4-(N-(4-chlorobenzoyl)(thiocarbamoyl))morpholine is 34840-50-1.
What is the molecular formula of 4-(N-(4-chlorobenzoyl)(thiocarbamoyl))morpholine?
The molecular formula of 4-(N-(4-chlorobenzoyl)(thiocarbamoyl))morpholine is C12H13ClN2O2S.
What is the molecular weight of 4-(N-(4-chlorobenzoyl)(thiocarbamoyl))morpholine?
The molecular weight of 4-(N-(4-chlorobenzoyl)(thiocarbamoyl))morpholine is 284.04 g/mol.
Where can I buy 4-(N-(4-chlorobenzoyl)(thiocarbamoyl))morpholine?
You can request a quote for 4-(N-(4-chlorobenzoyl)(thiocarbamoyl))morpholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(N-(4-chlorobenzoyl)(thiocarbamoyl))morpholine?
Yes, KEHONG BIO provides custom synthesis services for 4-(N-(4-chlorobenzoyl)(thiocarbamoyl))morpholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.