IFLab1_005791
TL;DR: IFLab1_005791 (CAS 433688-89-2) is a chemical compound with molecular formula C14H17NO3S and molecular weight 279.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(cyclopropanecarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: IFLab1_005791, IFLab2_000211, IDI1_011194, IDI1_019237, AN-329/12120325
| Molecular Formula | C14H17NO3S |
|---|---|
| Molecular Weight | 279.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.09293 |
| Heavy Atoms | 19 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 433688-89-2 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CC3 |
| InChIKey | HYUUOECEUSDWTC-UHFFFAOYSA-N |
Product Overview
IFLab1_005791 (CAS 433688-89-2), with molecular formula C14H17NO3S and molecular weight 279.09 g/mol. IUPAC: methyl 2-(cyclopropanecarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of IFLab1_005791
Property Insights of IFLab1_005791
The XLogP value of 3.2 indicates that IFLab1_005791 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 IFLab1_005791. Following Lipinski's Rule of Five, IFLab1_005791 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 IFLab1_005791?
The CAS number of IFLab1_005791 is 433688-89-2.
What is the molecular formula of IFLab1_005791?
The molecular formula of IFLab1_005791 is C14H17NO3S.
What is the molecular weight of IFLab1_005791?
The molecular weight of IFLab1_005791 is 279.09 g/mol.
Where can I buy IFLab1_005791?
You can request a quote for IFLab1_005791 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005791?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005791 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.