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Methyl 3-[(3,4-dichlorophenyl)carbamoylamino]thiophene-2-carboxylate
TL;DR: Methyl 3-[(3,4-dichlorophenyl)carbamoylamino]thiophene-2-carboxylate (CAS 313386-36-6) is a chemical compound with molecular formula C13H10Cl2N2O3S and molecular weight 343.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(3,4-dichlorophenyl)carbamoylamino]thiophene-2-carboxylate
Also Known As: methyl 3-[(3,4-dichlorophenyl)carbamoylamino]thiophene-2-carboxylate, methyl 3-{[(3,4-dichlorophenyl)carbamoyl]amino}thiophene-2-carboxylate, methyl 3-{[N-(3,4-dichlorophenyl)carbamoyl]amino}thiophene-2-carboxylate, methyl 3-({[(3,4-dichlorophenyl)amino]carbonyl}amino)-2-thiophenecarboxylate, METHYL 3-{[(3,4-DICHLOROANILINO)CARBONYL]AMINO}-2-THIOPHENECARBOXYLATE
| Molecular Formula | C13H10Cl2N2O3S |
|---|---|
| Molecular Weight | 343.98 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 95.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.9789 |
| Heavy Atoms | 21 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 313386-36-6 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl |
| InChIKey | KKQMABIOYQQXFZ-UHFFFAOYSA-N |
Product Overview
Methyl 3-[(3,4-dichlorophenyl)carbamoylamino]thiophene-2-carboxylate (CAS 313386-36-6), with molecular formula C13H10Cl2N2O3S and molecular weight 343.98 g/mol. IUPAC: methyl 3-[(3,4-dichlorophenyl)carbamoylamino]thiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-[(3,4-dichlorophenyl)carbamoylamino]thiophene-2-carboxylate
Property Insights of Methyl 3-[(3,4-dichlorophenyl)carbamoylamino]thiophene-2-carboxylate
The XLogP value of 4.2 indicates that Methyl 3-[(3,4-dichlorophenyl)carbamoylamino]thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-[(3,4-dichlorophenyl)carbamoylamino]thiophene-2-carboxylate. Following Lipinski's Rule of Five, Methyl 3-[(3,4-dichlorophenyl)carbamoylamino]thiophene-2-carboxylate has 2 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-[(3,4-dichlorophenyl)carbamoylamino]thiophene-2-carboxylate?
The CAS number of Methyl 3-[(3,4-dichlorophenyl)carbamoylamino]thiophene-2-carboxylate is 313386-36-6.
What is the molecular formula of Methyl 3-[(3,4-dichlorophenyl)carbamoylamino]thiophene-2-carboxylate?
The molecular formula of Methyl 3-[(3,4-dichlorophenyl)carbamoylamino]thiophene-2-carboxylate is C13H10Cl2N2O3S.
What is the molecular weight of Methyl 3-[(3,4-dichlorophenyl)carbamoylamino]thiophene-2-carboxylate?
The molecular weight of Methyl 3-[(3,4-dichlorophenyl)carbamoylamino]thiophene-2-carboxylate is 343.98 g/mol.
Where can I buy Methyl 3-[(3,4-dichlorophenyl)carbamoylamino]thiophene-2-carboxylate?
You can request a quote for Methyl 3-[(3,4-dichlorophenyl)carbamoylamino]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-[(3,4-dichlorophenyl)carbamoylamino]thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[(3,4-dichlorophenyl)carbamoylamino]thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.