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Methyl 3-([3-(Chloromethyl)Benzoyl]Amino)Thiophene-2-Carboxylate
TL;DR: Methyl 3-([3-(Chloromethyl)Benzoyl]Amino)Thiophene-2-Carboxylate (CAS 306935-11-5) 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.
methyl 3-[[3-(chloromethyl)benzoyl]amino]thiophene-2-carboxylate
Also Known As: N-Carbobenzoxy-D-threonine, Methyl 3-([3-(Chloromethyl)Benzoyl]Amino)Thiophene-2-Carboxylate, Methyl 3-[[3-(chloromethyl)benzoyl]amino]thiophene-2-carboxylate, METHYL3-([3- THIOPHENE-2-CARBOXYLATE, methyl 3-[3-(chloromethyl)benzamido]thiophene-2-carboxylate
| Molecular Formula | C14H12ClNO3S |
|---|---|
| Molecular Weight | 309.02 g/mol |
| LogP | 3.5258 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.02264 |
| Heavy Atoms | 20 |
| Complexity | 638.8542 |
Chemical Identifiers
| CAS Number | 306935-11-5 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)NC(=O)C2=CC=CC(=C2)CCl |
Product Overview
Methyl 3-([3-(Chloromethyl)Benzoyl]Amino)Thiophene-2-Carboxylate (CAS 306935-11-5), with molecular formula C14H12ClNO3S and molecular weight 309.02 g/mol. IUPAC: methyl 3-[[3-(chloromethyl)benzoyl]amino]thiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-([3-(Chloromethyl)Benzoyl]Amino)Thiophene-2-Carboxylate
Property Insights of Methyl 3-([3-(Chloromethyl)Benzoyl]Amino)Thiophene-2-Carboxylate
The XLogP value of 3.5258 indicates that Methyl 3-([3-(Chloromethyl)Benzoyl]Amino)Thiophene-2-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 3-([3-(Chloromethyl)Benzoyl]Amino)Thiophene-2-Carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-([3-(Chloromethyl)Benzoyl]Amino)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 Methyl 3-([3-(Chloromethyl)Benzoyl]Amino)Thiophene-2-Carboxylate?
The CAS number of Methyl 3-([3-(Chloromethyl)Benzoyl]Amino)Thiophene-2-Carboxylate is 306935-11-5.
What is the molecular formula of Methyl 3-([3-(Chloromethyl)Benzoyl]Amino)Thiophene-2-Carboxylate?
The molecular formula of Methyl 3-([3-(Chloromethyl)Benzoyl]Amino)Thiophene-2-Carboxylate is C14H12ClNO3S.
What is the molecular weight of Methyl 3-([3-(Chloromethyl)Benzoyl]Amino)Thiophene-2-Carboxylate?
The molecular weight of Methyl 3-([3-(Chloromethyl)Benzoyl]Amino)Thiophene-2-Carboxylate is 309.02 g/mol.
Where can I buy Methyl 3-([3-(Chloromethyl)Benzoyl]Amino)Thiophene-2-Carboxylate?
You can request a quote for Methyl 3-([3-(Chloromethyl)Benzoyl]Amino)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 Methyl 3-([3-(Chloromethyl)Benzoyl]Amino)Thiophene-2-Carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-([3-(Chloromethyl)Benzoyl]Amino)Thiophene-2-Carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.