Isobutyl 4-(thiophene-2-carboxamido)benzoate
TL;DR: Isobutyl 4-(thiophene-2-carboxamido)benzoate (CAS 301307-34-6) is a chemical compound with molecular formula C16H17NO3S and molecular weight 303.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 4-(thiophene-2-carbonylamino)benzoate
Also Known As: isobutyl p-(2-thenylamino)benzoate, isobutyl 4-(thiophene-2-carboxamido)benzoate, BAS 00842533, BIM-0032748.P001, 2-METHYLPROPYL 4-(THIOPHENE-2-AMIDO)BENZOATE
| Molecular Formula | C16H17NO3S |
|---|---|
| Molecular Weight | 303.09 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 303.09293 |
| Heavy Atoms | 21 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 301307-34-6 |
|---|---|
| SMILES | CC(C)COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CS2 |
| InChIKey | DHOXGBMDKCUQSL-UHFFFAOYSA-N |
Product Overview
Isobutyl 4-(thiophene-2-carboxamido)benzoate (CAS 301307-34-6), with molecular formula C16H17NO3S and molecular weight 303.09 g/mol. IUPAC: 2-methylpropyl 4-(thiophene-2-carbonylamino)benzoate.
Chemical Property Profile of Isobutyl 4-(thiophene-2-carboxamido)benzoate
Property Insights of Isobutyl 4-(thiophene-2-carboxamido)benzoate
The XLogP value of 4.0 indicates that Isobutyl 4-(thiophene-2-carboxamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Isobutyl 4-(thiophene-2-carboxamido)benzoate. Following Lipinski's Rule of Five, Isobutyl 4-(thiophene-2-carboxamido)benzoate 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 Isobutyl 4-(thiophene-2-carboxamido)benzoate?
The CAS number of Isobutyl 4-(thiophene-2-carboxamido)benzoate is 301307-34-6.
What is the molecular formula of Isobutyl 4-(thiophene-2-carboxamido)benzoate?
The molecular formula of Isobutyl 4-(thiophene-2-carboxamido)benzoate is C16H17NO3S.
What is the molecular weight of Isobutyl 4-(thiophene-2-carboxamido)benzoate?
The molecular weight of Isobutyl 4-(thiophene-2-carboxamido)benzoate is 303.09 g/mol.
Where can I buy Isobutyl 4-(thiophene-2-carboxamido)benzoate?
You can request a quote for Isobutyl 4-(thiophene-2-carboxamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl 4-(thiophene-2-carboxamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl 4-(thiophene-2-carboxamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.