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Methyl 4-[(carbamimidoylsulfanyl)methyl]benzoate hydrobromide
TL;DR: Methyl 4-[(carbamimidoylsulfanyl)methyl]benzoate hydrobromide (CAS 479580-58-0) is a chemical compound with molecular formula C10H13BrN2O2S and molecular weight 303.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(carbamimidoylsulfanylmethyl)benzoate;hydrobromide
Also Known As: methyl 4-[(carbamimidoylsulfanyl)methyl]benzoate hydrobromide, methyl 4-({[amino(imino)methyl]thio}methyl)benzoate hydrobromide, methyl 4-(carbamimidoylsulfanylmethyl)benzoate;hydrobromide, methyl 4-((carbamimidoylthio)methyl)benzoate hydrobromide, Methyl 4-(carbamimidoylsulfanylmethyl)benzoate Hydrobromide
| Molecular Formula | C10H13BrN2O2S |
|---|---|
| Molecular Weight | 303.99 g/mol |
| LogP | 2.17777 |
| Topological Polar Surface Area | 76.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.9881 |
| Heavy Atoms | 16 |
| Complexity | 367.5867 |
Chemical Identifiers
| CAS Number | 479580-58-0 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)CSC(=N)N.Br |
Product Overview
Methyl 4-[(carbamimidoylsulfanyl)methyl]benzoate hydrobromide (CAS 479580-58-0), with molecular formula C10H13BrN2O2S and molecular weight 303.99 g/mol. IUPAC: methyl 4-(carbamimidoylsulfanylmethyl)benzoate;hydrobromide.
Chemical Property Profile of Methyl 4-[(carbamimidoylsulfanyl)methyl]benzoate hydrobromide
Property Insights of Methyl 4-[(carbamimidoylsulfanyl)methyl]benzoate hydrobromide
The XLogP value of 2.17777 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[(carbamimidoylsulfanyl)methyl]benzoate hydrobromide. The TPSA of 76.17 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[(carbamimidoylsulfanyl)methyl]benzoate hydrobromide. Following Lipinski's Rule of Five, Methyl 4-[(carbamimidoylsulfanyl)methyl]benzoate hydrobromide 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 4-[(carbamimidoylsulfanyl)methyl]benzoate hydrobromide?
The CAS number of Methyl 4-[(carbamimidoylsulfanyl)methyl]benzoate hydrobromide is 479580-58-0.
What is the molecular formula of Methyl 4-[(carbamimidoylsulfanyl)methyl]benzoate hydrobromide?
The molecular formula of Methyl 4-[(carbamimidoylsulfanyl)methyl]benzoate hydrobromide is C10H13BrN2O2S.
What is the molecular weight of Methyl 4-[(carbamimidoylsulfanyl)methyl]benzoate hydrobromide?
The molecular weight of Methyl 4-[(carbamimidoylsulfanyl)methyl]benzoate hydrobromide is 303.99 g/mol.
Where can I buy Methyl 4-[(carbamimidoylsulfanyl)methyl]benzoate hydrobromide?
You can request a quote for Methyl 4-[(carbamimidoylsulfanyl)methyl]benzoate hydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[(carbamimidoylsulfanyl)methyl]benzoate hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[(carbamimidoylsulfanyl)methyl]benzoate hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.