but-2-enedioic acid;1-(4-chlorophenyl)sulfanyl-N-methylpropan-2-amine
TL;DR: but-2-enedioic acid;1-(4-chlorophenyl)sulfanyl-N-methylpropan-2-amine (CAS 83197-87-9) is a chemical compound with molecular formula C14H18ClNO4S and molecular weight 331.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;1-(4-chlorophenyl)sulfanyl-N-methylpropan-2-amine
Also Known As: but-2-enedioic acid; 1-(4-chlorophenyl)sulfanyl-N-methyl-propan-2-amine
| Molecular Formula | C14H18ClNO4S |
|---|---|
| Molecular Weight | 331.06 g/mol |
| LogP | 2.7518 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.0645 |
| Heavy Atoms | 21 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 83197-87-9 |
|---|---|
| SMILES | CC(CSC1=CC=C(C=C1)Cl)NC.C(=CC(=O)O)C(=O)O |
| InChIKey | PGHOYMKBEPCNOV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
but-2-enedioic acid;1-(4-chlorophenyl)sulfanyl-N-methylpropan-2-amine (CAS 83197-87-9), with molecular formula C14H18ClNO4S and molecular weight 331.06 g/mol. IUPAC: but-2-enedioic acid;1-(4-chlorophenyl)sulfanyl-N-methylpropan-2-amine.
Chemical Property Profile of but-2-enedioic acid;1-(4-chlorophenyl)sulfanyl-N-methylpropan-2-amine
Property Insights of but-2-enedioic acid;1-(4-chlorophenyl)sulfanyl-N-methylpropan-2-amine
The XLogP value of 2.7518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for but-2-enedioic acid;1-(4-chlorophenyl)sulfanyl-N-methylpropan-2-amine. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for but-2-enedioic acid;1-(4-chlorophenyl)sulfanyl-N-methylpropan-2-amine. Following Lipinski's Rule of Five, but-2-enedioic acid;1-(4-chlorophenyl)sulfanyl-N-methylpropan-2-amine 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 but-2-enedioic acid;1-(4-chlorophenyl)sulfanyl-N-methylpropan-2-amine?
The CAS number of but-2-enedioic acid;1-(4-chlorophenyl)sulfanyl-N-methylpropan-2-amine is 83197-87-9.
What is the molecular formula of but-2-enedioic acid;1-(4-chlorophenyl)sulfanyl-N-methylpropan-2-amine?
The molecular formula of but-2-enedioic acid;1-(4-chlorophenyl)sulfanyl-N-methylpropan-2-amine is C14H18ClNO4S.
What is the molecular weight of but-2-enedioic acid;1-(4-chlorophenyl)sulfanyl-N-methylpropan-2-amine?
The molecular weight of but-2-enedioic acid;1-(4-chlorophenyl)sulfanyl-N-methylpropan-2-amine is 331.06 g/mol.
Where can I buy but-2-enedioic acid;1-(4-chlorophenyl)sulfanyl-N-methylpropan-2-amine?
You can request a quote for but-2-enedioic acid;1-(4-chlorophenyl)sulfanyl-N-methylpropan-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for but-2-enedioic acid;1-(4-chlorophenyl)sulfanyl-N-methylpropan-2-amine?
Yes, KEHONG BIO provides custom synthesis services for but-2-enedioic acid;1-(4-chlorophenyl)sulfanyl-N-methylpropan-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.