![{[(3-Chlorophenyl)methyl]carbamoyl}methyl thiophene-2-carboxylate structure](/static/products/876/876153-19-4.png)
{[(3-Chlorophenyl)methyl]carbamoyl}methyl thiophene-2-carboxylate
TL;DR: {[(3-Chlorophenyl)methyl]carbamoyl}methyl thiophene-2-carboxylate (CAS 876153-19-4) is a chemical compound with molecular formula C14H12ClNO3S and molecular weight 309.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate
Also Known As: UPCMLD0ENAT5549335:001, {[(3-chlorophenyl)methyl]carbamoyl}methyl thiophene-2-carboxylate, 2-((3-chlorobenzyl)amino)-2-oxoethyl thiophene-2-carboxylate, F6609-3571, [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate
| Molecular Formula | C14H12ClNO3S |
|---|---|
| Molecular Weight | 309.02 g/mol |
| LogP | 2.8747 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.02264 |
| Heavy Atoms | 20 |
| Complexity | 598.2263 |
Chemical Identifiers
| CAS Number | 876153-19-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)CNC(=O)COC(=O)C2=CC=CS2 |
Product Overview
{[(3-Chlorophenyl)methyl]carbamoyl}methyl thiophene-2-carboxylate (CAS 876153-19-4), with molecular formula C14H12ClNO3S and molecular weight 309.02 g/mol. IUPAC: [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate.
Chemical Property Profile of {[(3-Chlorophenyl)methyl]carbamoyl}methyl thiophene-2-carboxylate
Property Insights of {[(3-Chlorophenyl)methyl]carbamoyl}methyl thiophene-2-carboxylate
The XLogP value of 2.8747 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {[(3-Chlorophenyl)methyl]carbamoyl}methyl thiophene-2-carboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, {[(3-Chlorophenyl)methyl]carbamoyl}methyl thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, {[(3-Chlorophenyl)methyl]carbamoyl}methyl thiophene-2-carboxylate has 1 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 {[(3-Chlorophenyl)methyl]carbamoyl}methyl thiophene-2-carboxylate?
The CAS number of {[(3-Chlorophenyl)methyl]carbamoyl}methyl thiophene-2-carboxylate is 876153-19-4.
What is the molecular formula of {[(3-Chlorophenyl)methyl]carbamoyl}methyl thiophene-2-carboxylate?
The molecular formula of {[(3-Chlorophenyl)methyl]carbamoyl}methyl thiophene-2-carboxylate is C14H12ClNO3S.
What is the molecular weight of {[(3-Chlorophenyl)methyl]carbamoyl}methyl thiophene-2-carboxylate?
The molecular weight of {[(3-Chlorophenyl)methyl]carbamoyl}methyl thiophene-2-carboxylate is 309.02 g/mol.
Where can I buy {[(3-Chlorophenyl)methyl]carbamoyl}methyl thiophene-2-carboxylate?
You can request a quote for {[(3-Chlorophenyl)methyl]carbamoyl}methyl thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {[(3-Chlorophenyl)methyl]carbamoyl}methyl thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for {[(3-Chlorophenyl)methyl]carbamoyl}methyl thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.