![methyl 4-methyl-2-[3-(3-methylphenoxy)propanoylamino]-5-phenylthiophene-3-carboxylate structure](/static/products/840/840471-72-9.png)
methyl 4-methyl-2-[3-(3-methylphenoxy)propanoylamino]-5-phenylthiophene-3-carboxylate
TL;DR: methyl 4-methyl-2-[3-(3-methylphenoxy)propanoylamino]-5-phenylthiophene-3-carboxylate (CAS 840471-72-9) is a chemical compound with molecular formula C23H23NO4S and molecular weight 409.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-methyl-2-[3-(3-methylphenoxy)propanoylamino]-5-phenylthiophene-3-carboxylate
Also Known As: methyl 4-methyl-2-[3-(3-methylphenoxy)propanoylamino]-5-phenylthiophene-3-carboxylate, methyl 4-methyl-2-{[3-(3-methylphenoxy)propanoyl]amino}-5-phenylthiophene-3-carboxylate, methyl 4-methyl-5-phenyl-2-(3-(m-tolyloxy)propanamido)thiophene-3-carboxylate
| Molecular Formula | C23H23NO4S |
|---|---|
| Molecular Weight | 409.13 g/mol |
| LogP | 5.22614 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 409.13477 |
| Heavy Atoms | 29 |
| Complexity | 1010.9722 |
Chemical Identifiers
| CAS Number | 840471-72-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCCC(=O)NC2=C(C(=C(S2)C3=CC=CC=C3)C)C(=O)OC |
Product Overview
methyl 4-methyl-2-[3-(3-methylphenoxy)propanoylamino]-5-phenylthiophene-3-carboxylate (CAS 840471-72-9), with molecular formula C23H23NO4S and molecular weight 409.13 g/mol. IUPAC: methyl 4-methyl-2-[3-(3-methylphenoxy)propanoylamino]-5-phenylthiophene-3-carboxylate.
Chemical Property Profile of methyl 4-methyl-2-[3-(3-methylphenoxy)propanoylamino]-5-phenylthiophene-3-carboxylate
Property Insights of methyl 4-methyl-2-[3-(3-methylphenoxy)propanoylamino]-5-phenylthiophene-3-carboxylate
The XLogP value of 5.22614 indicates that methyl 4-methyl-2-[3-(3-methylphenoxy)propanoylamino]-5-phenylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-methyl-2-[3-(3-methylphenoxy)propanoylamino]-5-phenylthiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 4-methyl-2-[3-(3-methylphenoxy)propanoylamino]-5-phenylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 4-methyl-2-[3-(3-methylphenoxy)propanoylamino]-5-phenylthiophene-3-carboxylate?
The CAS number of methyl 4-methyl-2-[3-(3-methylphenoxy)propanoylamino]-5-phenylthiophene-3-carboxylate is 840471-72-9.
What is the molecular formula of methyl 4-methyl-2-[3-(3-methylphenoxy)propanoylamino]-5-phenylthiophene-3-carboxylate?
The molecular formula of methyl 4-methyl-2-[3-(3-methylphenoxy)propanoylamino]-5-phenylthiophene-3-carboxylate is C23H23NO4S.
What is the molecular weight of methyl 4-methyl-2-[3-(3-methylphenoxy)propanoylamino]-5-phenylthiophene-3-carboxylate?
The molecular weight of methyl 4-methyl-2-[3-(3-methylphenoxy)propanoylamino]-5-phenylthiophene-3-carboxylate is 409.13 g/mol.
Where can I buy methyl 4-methyl-2-[3-(3-methylphenoxy)propanoylamino]-5-phenylthiophene-3-carboxylate?
You can request a quote for methyl 4-methyl-2-[3-(3-methylphenoxy)propanoylamino]-5-phenylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-methyl-2-[3-(3-methylphenoxy)propanoylamino]-5-phenylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-methyl-2-[3-(3-methylphenoxy)propanoylamino]-5-phenylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.