carbamothioyl}amino)acetate structure](/static/products/3031/303148-56-3.webp)
ethyl 2-({[3-(hydroxymethyl)-8-methoxy-3,4-dihydro-2H-1-benzopyran-4-yl](methyl)carbamothioyl}amino)acetate
TL;DR: ethyl 2-({[3-(hydroxymethyl)-8-methoxy-3,4-dihydro-2H-1-benzopyran-4-yl](methyl)carbamothioyl}amino)acetate (CAS 303148-56-3) is a chemical compound with molecular formula C17H24N2O5S and molecular weight 368.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[[3-(hydroxymethyl)-8-methoxy-3,4-dihydro-2H-chromen-4-yl]-methylcarbamothioyl]amino]acetate
Also Known As: ethyl 2-({[3-(hydroxymethyl)-8-methoxy-3,4-dihydro-2H-1-benzopyran-4-yl](methyl)carbamothioyl}amino)acetate, Ethyl 2-(3-(3-(hydroxymethyl)-8-methoxychroman-4-yl)-3-methylthioureido)acetate, 11K-925, Ethyl 2-(([[3-(hydroxymethyl)-8-methoxy-3,4-dihydro-2H-chromen-4-yl](methyl)amino]carbothioyl)amino)acetate, ethyl 2-({[[3-(hydroxymethyl)-8-methoxy-3,4-dihydro-2H-chromen-4-yl](methyl)amino]carbothioyl} amino)acetate
| Molecular Formula | C17H24N2O5S |
|---|---|
| Molecular Weight | 368.14 g/mol |
| LogP | 1.1066 |
| Topological Polar Surface Area | 80.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.1406 |
| Heavy Atoms | 25 |
| Complexity | 625.0558 |
Chemical Identifiers
| CAS Number | 303148-56-3 |
|---|---|
| SMILES | CCOC(=O)CNC(=S)N(C)C1C(COC2=C1C=CC=C2OC)CO |
Product Overview
ethyl 2-({[3-(hydroxymethyl)-8-methoxy-3,4-dihydro-2H-1-benzopyran-4-yl](methyl)carbamothioyl}amino)acetate (CAS 303148-56-3), with molecular formula C17H24N2O5S and molecular weight 368.14 g/mol. IUPAC: ethyl 2-[[[3-(hydroxymethyl)-8-methoxy-3,4-dihydro-2H-chromen-4-yl]-methylcarbamothioyl]amino]acetate.
Chemical Property Profile of ethyl 2-({[3-(hydroxymethyl)-8-methoxy-3,4-dihydro-2H-1-benzopyran-4-yl](methyl)carbamothioyl}amino)acetate
Property Insights of ethyl 2-({[3-(hydroxymethyl)-8-methoxy-3,4-dihydro-2H-1-benzopyran-4-yl](methyl)carbamothioyl}amino)acetate
The XLogP value of 1.1066 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-({[3-(hydroxymethyl)-8-methoxy-3,4-dihydro-2H-1-benzopyran-4-yl](methyl)carbamothioyl}amino)acetate. The TPSA of 80.26 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-({[3-(hydroxymethyl)-8-methoxy-3,4-dihydro-2H-1-benzopyran-4-yl](methyl)carbamothioyl}amino)acetate. Following Lipinski's Rule of Five, ethyl 2-({[3-(hydroxymethyl)-8-methoxy-3,4-dihydro-2H-1-benzopyran-4-yl](methyl)carbamothioyl}amino)acetate has 2 hydrogen bond donor(s) and 6 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 ethyl 2-({[3-(hydroxymethyl)-8-methoxy-3,4-dihydro-2H-1-benzopyran-4-yl](methyl)carbamothioyl}amino)acetate?
The CAS number of ethyl 2-({[3-(hydroxymethyl)-8-methoxy-3,4-dihydro-2H-1-benzopyran-4-yl](methyl)carbamothioyl}amino)acetate is 303148-56-3.
What is the molecular formula of ethyl 2-({[3-(hydroxymethyl)-8-methoxy-3,4-dihydro-2H-1-benzopyran-4-yl](methyl)carbamothioyl}amino)acetate?
The molecular formula of ethyl 2-({[3-(hydroxymethyl)-8-methoxy-3,4-dihydro-2H-1-benzopyran-4-yl](methyl)carbamothioyl}amino)acetate is C17H24N2O5S.
What is the molecular weight of ethyl 2-({[3-(hydroxymethyl)-8-methoxy-3,4-dihydro-2H-1-benzopyran-4-yl](methyl)carbamothioyl}amino)acetate?
The molecular weight of ethyl 2-({[3-(hydroxymethyl)-8-methoxy-3,4-dihydro-2H-1-benzopyran-4-yl](methyl)carbamothioyl}amino)acetate is 368.14 g/mol.
Where can I buy ethyl 2-({[3-(hydroxymethyl)-8-methoxy-3,4-dihydro-2H-1-benzopyran-4-yl](methyl)carbamothioyl}amino)acetate?
You can request a quote for ethyl 2-({[3-(hydroxymethyl)-8-methoxy-3,4-dihydro-2H-1-benzopyran-4-yl](methyl)carbamothioyl}amino)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-({[3-(hydroxymethyl)-8-methoxy-3,4-dihydro-2H-1-benzopyran-4-yl](methyl)carbamothioyl}amino)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-({[3-(hydroxymethyl)-8-methoxy-3,4-dihydro-2H-1-benzopyran-4-yl](methyl)carbamothioyl}amino)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.