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Methyl 2-[(chloroacetyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate
TL;DR: Methyl 2-[(chloroacetyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate (CAS 473732-79-5) is a chemical compound with molecular formula C15H14ClNO3S and molecular weight 323.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-chloroacetyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate
Also Known As: methyl 2-[(chloroacetyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate, 1-Thiophen-2-yl-butylamine, methyl 2-(2-chloroacetamido)-5-methyl-4-phenylthiophene-3-carboxylate, methyl 2-[(2-chloroacetyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate, Methyl 2-[(2-chloroacetyl)amino]-5-methyl-4-phenyl-thiophene-3-carboxylate
| Molecular Formula | C15H14ClNO3S |
|---|---|
| Molecular Weight | 323.04 g/mol |
| LogP | 3.68742 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.0383 |
| Heavy Atoms | 21 |
| Complexity | 667.0583 |
Chemical Identifiers
| CAS Number | 473732-79-5 |
|---|---|
| SMILES | CC1=C(C(=C(S1)NC(=O)CCl)C(=O)OC)C2=CC=CC=C2 |
Product Overview
Methyl 2-[(chloroacetyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate (CAS 473732-79-5), with molecular formula C15H14ClNO3S and molecular weight 323.04 g/mol. IUPAC: methyl 2-[(2-chloroacetyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate.
Chemical Property Profile of Methyl 2-[(chloroacetyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate
Property Insights of Methyl 2-[(chloroacetyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate
The XLogP value of 3.68742 indicates that Methyl 2-[(chloroacetyl)amino]-5-methyl-4-phenylthiophene-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-[(chloroacetyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-[(chloroacetyl)amino]-5-methyl-4-phenylthiophene-3-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 Methyl 2-[(chloroacetyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate?
The CAS number of Methyl 2-[(chloroacetyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate is 473732-79-5.
What is the molecular formula of Methyl 2-[(chloroacetyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate?
The molecular formula of Methyl 2-[(chloroacetyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate is C15H14ClNO3S.
What is the molecular weight of Methyl 2-[(chloroacetyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate?
The molecular weight of Methyl 2-[(chloroacetyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate is 323.04 g/mol.
Where can I buy Methyl 2-[(chloroacetyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate?
You can request a quote for Methyl 2-[(chloroacetyl)amino]-5-methyl-4-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 2-[(chloroacetyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(chloroacetyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.