3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzothiophene-2-carboxamide
TL;DR: 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzothiophene-2-carboxamide (CAS 433953-53-8) is a chemical compound with molecular formula C13H14ClNO2S and molecular weight 283.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzothiophene-2-carboxamide
Also Known As: ChemDiv3_003966, BAS 04085526, IDI1_021876, 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzothiophene-2-carboxamide, AB01327236-02
| Molecular Formula | C13H14ClNO2S |
|---|---|
| Molecular Weight | 283.04 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 77.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.04337 |
| Heavy Atoms | 18 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 433953-53-8 |
|---|---|
| SMILES | CC(C)(CO)NC(=O)C1=C(C2=CC=CC=C2S1)Cl |
| InChIKey | RGKWDQVWCBJFAW-UHFFFAOYSA-N |
Product Overview
3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzothiophene-2-carboxamide (CAS 433953-53-8), with molecular formula C13H14ClNO2S and molecular weight 283.04 g/mol. IUPAC: 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzothiophene-2-carboxamide.
Chemical Property Profile of 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzothiophene-2-carboxamide
Property Insights of 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzothiophene-2-carboxamide
The XLogP value of 3.1 indicates that 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzothiophene-2-carboxamide. Following Lipinski's Rule of Five, 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzothiophene-2-carboxamide has 2 hydrogen bond donor(s) and 3 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 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzothiophene-2-carboxamide?
The CAS number of 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzothiophene-2-carboxamide is 433953-53-8.
What is the molecular formula of 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzothiophene-2-carboxamide?
The molecular formula of 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzothiophene-2-carboxamide is C13H14ClNO2S.
What is the molecular weight of 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzothiophene-2-carboxamide?
The molecular weight of 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzothiophene-2-carboxamide is 283.04 g/mol.
Where can I buy 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzothiophene-2-carboxamide?
You can request a quote for 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzothiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.