Methyl 3-carbamimidoylsulfanyl-2-chloropropanoate
TL;DR: Methyl 3-carbamimidoylsulfanyl-2-chloropropanoate (CAS 64168-83-8) is a chemical compound with molecular formula C5H9ClN2O2S and molecular weight 196.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-carbamimidoylsulfanyl-2-chloropropanoate
Also Known As: methyl 3-carbamimidoylsulfanyl-2-chloropropanoate, methyl 2-chloro-3-methanehydrazonoylsulfanylpropanoate
| Molecular Formula | C5H9ClN2O2S |
|---|---|
| Molecular Weight | 196.01 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 196.00732 |
| Heavy Atoms | 11 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 64168-83-8 |
|---|---|
| SMILES | COC(=O)C(CSC(=N)N)Cl |
| InChIKey | NQDLECWPTPMLDZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-carbamimidoylsulfanyl-2-chloropropanoate (CAS 64168-83-8), with molecular formula C5H9ClN2O2S and molecular weight 196.01 g/mol. IUPAC: methyl 3-carbamimidoylsulfanyl-2-chloropropanoate.
Chemical Property Profile of Methyl 3-carbamimidoylsulfanyl-2-chloropropanoate
Property Insights of Methyl 3-carbamimidoylsulfanyl-2-chloropropanoate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-carbamimidoylsulfanyl-2-chloropropanoate. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-carbamimidoylsulfanyl-2-chloropropanoate. Following Lipinski's Rule of Five, Methyl 3-carbamimidoylsulfanyl-2-chloropropanoate has 2 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-carbamimidoylsulfanyl-2-chloropropanoate?
The CAS number of Methyl 3-carbamimidoylsulfanyl-2-chloropropanoate is 64168-83-8.
What is the molecular formula of Methyl 3-carbamimidoylsulfanyl-2-chloropropanoate?
The molecular formula of Methyl 3-carbamimidoylsulfanyl-2-chloropropanoate is C5H9ClN2O2S.
What is the molecular weight of Methyl 3-carbamimidoylsulfanyl-2-chloropropanoate?
The molecular weight of Methyl 3-carbamimidoylsulfanyl-2-chloropropanoate is 196.01 g/mol.
Where can I buy Methyl 3-carbamimidoylsulfanyl-2-chloropropanoate?
You can request a quote for Methyl 3-carbamimidoylsulfanyl-2-chloropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-carbamimidoylsulfanyl-2-chloropropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-carbamimidoylsulfanyl-2-chloropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.