IFLab1_000970
TL;DR: IFLab1_000970 (CAS 300815-27-4) is a chemical compound with molecular formula C14H19NO3S and molecular weight 281.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,2-dimethylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Also Known As: IFLab1_000970, BAS 06104495, F0239-0374, 2-[(2,2-dimethylpropanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid, 2-pivalamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid
| Molecular Formula | C14H19NO3S |
|---|---|
| Molecular Weight | 281.11 g/mol |
| LogP | 3.3097 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.10855 |
| Heavy Atoms | 19 |
| Complexity | 525.52875 |
Chemical Identifiers
| CAS Number | 300815-27-4 |
|---|---|
| SMILES | CC(C)(C)C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)O |
Product Overview
IFLab1_000970 (CAS 300815-27-4), with molecular formula C14H19NO3S and molecular weight 281.11 g/mol. IUPAC: 2-(2,2-dimethylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid.
Chemical Property Profile of IFLab1_000970
Property Insights of IFLab1_000970
The XLogP value of 3.3097 indicates that IFLab1_000970 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_000970. Following Lipinski's Rule of Five, IFLab1_000970 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 IFLab1_000970?
The CAS number of IFLab1_000970 is 300815-27-4.
What is the molecular formula of IFLab1_000970?
The molecular formula of IFLab1_000970 is C14H19NO3S.
What is the molecular weight of IFLab1_000970?
The molecular weight of IFLab1_000970 is 281.11 g/mol.
Where can I buy IFLab1_000970?
You can request a quote for IFLab1_000970 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_000970?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_000970 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.