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Methyl 2-[3-(carbamimidoylsulfanylmethyl)-4-propoxy-phenyl]acetate
TL;DR: Methyl 2-[3-(carbamimidoylsulfanylmethyl)-4-propoxy-phenyl]acetate (CAS 761340-77-6) is a chemical compound with molecular formula C14H20N2O3S and molecular weight 296.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-(carbamimidoylsulfanylmethyl)-4-propoxyphenyl]acetate
Also Known As: Methyl 2-[3-(carbamimidoylsulfanylmethyl)-4-propoxy-phenyl]acetate, methyl 2-[3-(carbamimidoylsulfanylmethyl)-4-propoxyphenyl]acetate, Methyl 3-[[(aminoiminomethyl)thio]methyl]-4-propoxybenzeneacetate, BENZENEACETIC ACID, 3-(((AMINOIMINOMETHYL)THIO)METHYL)-4-PROPOXY-, METHYL ESTER,, Benzeneacetic acid, 3-[[(aminoiminomethyl)thio]methyl]-4-propoxy-, methyl ester
| Molecular Formula | C14H20N2O3S |
|---|---|
| Molecular Weight | 296.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 296.11948 |
| Heavy Atoms | 20 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 761340-77-6 |
|---|---|
| SMILES | CCCOC1=C(C=C(C=C1)CC(=O)OC)CSC(=N)N |
| InChIKey | YEQUHFBSERPHCP-UHFFFAOYSA-N |
Product Overview
Methyl 2-[3-(carbamimidoylsulfanylmethyl)-4-propoxy-phenyl]acetate (CAS 761340-77-6), with molecular formula C14H20N2O3S and molecular weight 296.12 g/mol. IUPAC: methyl 2-[3-(carbamimidoylsulfanylmethyl)-4-propoxyphenyl]acetate.
Chemical Property Profile of Methyl 2-[3-(carbamimidoylsulfanylmethyl)-4-propoxy-phenyl]acetate
Property Insights of Methyl 2-[3-(carbamimidoylsulfanylmethyl)-4-propoxy-phenyl]acetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[3-(carbamimidoylsulfanylmethyl)-4-propoxy-phenyl]acetate. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[3-(carbamimidoylsulfanylmethyl)-4-propoxy-phenyl]acetate. Following Lipinski's Rule of Five, Methyl 2-[3-(carbamimidoylsulfanylmethyl)-4-propoxy-phenyl]acetate has 2 hydrogen bond donor(s) and 5 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 2-[3-(carbamimidoylsulfanylmethyl)-4-propoxy-phenyl]acetate?
The CAS number of Methyl 2-[3-(carbamimidoylsulfanylmethyl)-4-propoxy-phenyl]acetate is 761340-77-6.
What is the molecular formula of Methyl 2-[3-(carbamimidoylsulfanylmethyl)-4-propoxy-phenyl]acetate?
The molecular formula of Methyl 2-[3-(carbamimidoylsulfanylmethyl)-4-propoxy-phenyl]acetate is C14H20N2O3S.
What is the molecular weight of Methyl 2-[3-(carbamimidoylsulfanylmethyl)-4-propoxy-phenyl]acetate?
The molecular weight of Methyl 2-[3-(carbamimidoylsulfanylmethyl)-4-propoxy-phenyl]acetate is 296.12 g/mol.
Where can I buy Methyl 2-[3-(carbamimidoylsulfanylmethyl)-4-propoxy-phenyl]acetate?
You can request a quote for Methyl 2-[3-(carbamimidoylsulfanylmethyl)-4-propoxy-phenyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[3-(carbamimidoylsulfanylmethyl)-4-propoxy-phenyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[3-(carbamimidoylsulfanylmethyl)-4-propoxy-phenyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.