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Methyl 2-[(4-bromobenzoyl)amino]-5-propyl-3-thiophenecarboxylate
TL;DR: Methyl 2-[(4-bromobenzoyl)amino]-5-propyl-3-thiophenecarboxylate (CAS 445013-49-0) is a chemical compound with molecular formula C16H16BrNO3S and molecular weight 381.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-bromobenzoyl)amino]-5-propylthiophene-3-carboxylate
Also Known As: methyl 2-[(4-bromobenzoyl)amino]-5-propyl-3-thiophenecarboxylate, methyl 2-[(4-bromobenzoyl)amino]-5-propylthiophene-3-carboxylate, METHYL 2-(4-BROMOBENZAMIDO)-5-PROPYLTHIOPHENE-3-CARBOXYLATE, methyl 2-{[(4-bromophenyl)carbonyl]amino}-5-propylthiophene-3-carboxylate
| Molecular Formula | C16H16BrNO3S |
|---|---|
| Molecular Weight | 381.00 g/mol |
| LogP | 4.502 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.00342 |
| Heavy Atoms | 22 |
| Complexity | 679.1994 |
Chemical Identifiers
| CAS Number | 445013-49-0 |
|---|---|
| SMILES | CCCC1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)Br)C(=O)OC |
Product Overview
Methyl 2-[(4-bromobenzoyl)amino]-5-propyl-3-thiophenecarboxylate (CAS 445013-49-0), with molecular formula C16H16BrNO3S and molecular weight 381.00 g/mol. IUPAC: methyl 2-[(4-bromobenzoyl)amino]-5-propylthiophene-3-carboxylate.
Chemical Property Profile of Methyl 2-[(4-bromobenzoyl)amino]-5-propyl-3-thiophenecarboxylate
Property Insights of Methyl 2-[(4-bromobenzoyl)amino]-5-propyl-3-thiophenecarboxylate
The XLogP value of 4.502 indicates that Methyl 2-[(4-bromobenzoyl)amino]-5-propyl-3-thiophenecarboxylate 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-[(4-bromobenzoyl)amino]-5-propyl-3-thiophenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-[(4-bromobenzoyl)amino]-5-propyl-3-thiophenecarboxylate 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-[(4-bromobenzoyl)amino]-5-propyl-3-thiophenecarboxylate?
The CAS number of Methyl 2-[(4-bromobenzoyl)amino]-5-propyl-3-thiophenecarboxylate is 445013-49-0.
What is the molecular formula of Methyl 2-[(4-bromobenzoyl)amino]-5-propyl-3-thiophenecarboxylate?
The molecular formula of Methyl 2-[(4-bromobenzoyl)amino]-5-propyl-3-thiophenecarboxylate is C16H16BrNO3S.
What is the molecular weight of Methyl 2-[(4-bromobenzoyl)amino]-5-propyl-3-thiophenecarboxylate?
The molecular weight of Methyl 2-[(4-bromobenzoyl)amino]-5-propyl-3-thiophenecarboxylate is 381.00 g/mol.
Where can I buy Methyl 2-[(4-bromobenzoyl)amino]-5-propyl-3-thiophenecarboxylate?
You can request a quote for Methyl 2-[(4-bromobenzoyl)amino]-5-propyl-3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[(4-bromobenzoyl)amino]-5-propyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(4-bromobenzoyl)amino]-5-propyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.