![methyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate structure](/static/products/5148/514838-76-7.webp)
methyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate
TL;DR: methyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate (CAS 514838-76-7) is a chemical compound with molecular formula C22H17ClFNO3S and molecular weight 429.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate
Also Known As: methyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate, methyl 2-{[3-(4-chlorophenyl)acryloyl]amino}-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate, (E)-methyl 2-(3-(4-chlorophenyl)acrylamido)-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate, methyl 2-[(2E)-3-(4-chlorophenyl)prop-2-enoylamino]-4-(4-fluorophenyl)-5-methy lthiophene-3-carboxylate, methyl 2-{[(2E)-3-(4-chlorophenyl)prop-2-enoyl]amino}-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate
| Molecular Formula | C22H17ClFNO3S |
|---|---|
| Molecular Weight | 429.06 g/mol |
| LogP | 5.95452 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.06018 |
| Heavy Atoms | 29 |
| Complexity | 1072.6869 |
Chemical Identifiers
| CAS Number | 514838-76-7 |
|---|---|
| SMILES | CC1=C(C(=C(S1)NC(=O)/C=C/C2=CC=C(C=C2)Cl)C(=O)OC)C3=CC=C(C=C3)F |
Product Overview
methyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate (CAS 514838-76-7), with molecular formula C22H17ClFNO3S and molecular weight 429.06 g/mol. IUPAC: methyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate.
Chemical Property Profile of methyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate
Property Insights of methyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate
The XLogP value of 5.95452 indicates that methyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, methyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate?
The CAS number of methyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate is 514838-76-7.
What is the molecular formula of methyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate?
The molecular formula of methyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate is C22H17ClFNO3S.
What is the molecular weight of methyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate?
The molecular weight of methyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate is 429.06 g/mol.
Where can I buy methyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate?
You can request a quote for methyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-4-(4-fluorophenyl)-5-methylthiophene-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 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.