5-(2-Amino-phenylsulfanylmethyl)-furan-2-carboxylic acid methyl ester
TL;DR: 5-(2-Amino-phenylsulfanylmethyl)-furan-2-carboxylic acid methyl ester (CAS 215779-54-7) is a chemical compound with molecular formula C13H13NO3S and molecular weight 263.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[(2-aminophenyl)sulfanylmethyl]furan-2-carboxylate
Also Known As: Maybridge3_000232, IDI1_011619, BRD-K17321932-001-01-7, methyl 5-[(2-aminophenyl)sulfanylmethyl]furan-2-carboxylate, 5-(2-Amino-phenylsulfanylmethyl)-furan-2-carboxylic acid methyl ester
| Molecular Formula | C13H13NO3S |
|---|---|
| Molecular Weight | 263.06 g/mol |
| LogP | 2.9407 |
| Topological Polar Surface Area | 65.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.0616 |
| Heavy Atoms | 18 |
| Complexity | 550.6743 |
Chemical Identifiers
| CAS Number | 215779-54-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(O1)CSC2=CC=CC=C2N |
Product Overview
5-(2-Amino-phenylsulfanylmethyl)-furan-2-carboxylic acid methyl ester (CAS 215779-54-7), with molecular formula C13H13NO3S and molecular weight 263.06 g/mol. IUPAC: methyl 5-[(2-aminophenyl)sulfanylmethyl]furan-2-carboxylate.
Chemical Property Profile of 5-(2-Amino-phenylsulfanylmethyl)-furan-2-carboxylic acid methyl ester
Property Insights of 5-(2-Amino-phenylsulfanylmethyl)-furan-2-carboxylic acid methyl ester
The XLogP value of 2.9407 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-Amino-phenylsulfanylmethyl)-furan-2-carboxylic acid methyl ester. The TPSA of 65.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-Amino-phenylsulfanylmethyl)-furan-2-carboxylic acid methyl ester. Following Lipinski's Rule of Five, 5-(2-Amino-phenylsulfanylmethyl)-furan-2-carboxylic acid methyl ester has 1 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 5-(2-Amino-phenylsulfanylmethyl)-furan-2-carboxylic acid methyl ester?
The CAS number of 5-(2-Amino-phenylsulfanylmethyl)-furan-2-carboxylic acid methyl ester is 215779-54-7.
What is the molecular formula of 5-(2-Amino-phenylsulfanylmethyl)-furan-2-carboxylic acid methyl ester?
The molecular formula of 5-(2-Amino-phenylsulfanylmethyl)-furan-2-carboxylic acid methyl ester is C13H13NO3S.
What is the molecular weight of 5-(2-Amino-phenylsulfanylmethyl)-furan-2-carboxylic acid methyl ester?
The molecular weight of 5-(2-Amino-phenylsulfanylmethyl)-furan-2-carboxylic acid methyl ester is 263.06 g/mol.
Where can I buy 5-(2-Amino-phenylsulfanylmethyl)-furan-2-carboxylic acid methyl ester?
You can request a quote for 5-(2-Amino-phenylsulfanylmethyl)-furan-2-carboxylic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-Amino-phenylsulfanylmethyl)-furan-2-carboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Amino-phenylsulfanylmethyl)-furan-2-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.