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Methyl 3-[(4-bromophenyl)carbamothioylsulfanyl]propanoate
TL;DR: Methyl 3-[(4-bromophenyl)carbamothioylsulfanyl]propanoate (CAS 56624-43-2) is a chemical compound with molecular formula C11H12BrNO2S2 and molecular weight 332.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(4-bromophenyl)carbamothioylsulfanyl]propanoate
Also Known As: methyl 3-[(4-bromophenyl)carbamothioylsulfanyl]propanoate, METHYL 3-{[(4-BROMOPHENYL)CARBAMOTHIOYL]SULFANYL}PROPANOATE
| Molecular Formula | C11H12BrNO2S2 |
|---|---|
| Molecular Weight | 332.95 g/mol |
| LogP | 3.4422 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.94928 |
| Heavy Atoms | 17 |
| Complexity | 394.96283 |
Chemical Identifiers
| CAS Number | 56624-43-2 |
|---|---|
| SMILES | COC(=O)CCSC(=S)NC1=CC=C(C=C1)Br |
Product Overview
Methyl 3-[(4-bromophenyl)carbamothioylsulfanyl]propanoate (CAS 56624-43-2), with molecular formula C11H12BrNO2S2 and molecular weight 332.95 g/mol. IUPAC: methyl 3-[(4-bromophenyl)carbamothioylsulfanyl]propanoate.
Chemical Property Profile of Methyl 3-[(4-bromophenyl)carbamothioylsulfanyl]propanoate
Property Insights of Methyl 3-[(4-bromophenyl)carbamothioylsulfanyl]propanoate
The XLogP value of 3.4422 indicates that Methyl 3-[(4-bromophenyl)carbamothioylsulfanyl]propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, Methyl 3-[(4-bromophenyl)carbamothioylsulfanyl]propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-[(4-bromophenyl)carbamothioylsulfanyl]propanoate has 1 hydrogen bond donor(s) and 4 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 Methyl 3-[(4-bromophenyl)carbamothioylsulfanyl]propanoate?
The CAS number of Methyl 3-[(4-bromophenyl)carbamothioylsulfanyl]propanoate is 56624-43-2.
What is the molecular formula of Methyl 3-[(4-bromophenyl)carbamothioylsulfanyl]propanoate?
The molecular formula of Methyl 3-[(4-bromophenyl)carbamothioylsulfanyl]propanoate is C11H12BrNO2S2.
What is the molecular weight of Methyl 3-[(4-bromophenyl)carbamothioylsulfanyl]propanoate?
The molecular weight of Methyl 3-[(4-bromophenyl)carbamothioylsulfanyl]propanoate is 332.95 g/mol.
Where can I buy Methyl 3-[(4-bromophenyl)carbamothioylsulfanyl]propanoate?
You can request a quote for Methyl 3-[(4-bromophenyl)carbamothioylsulfanyl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-[(4-bromophenyl)carbamothioylsulfanyl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[(4-bromophenyl)carbamothioylsulfanyl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.