IFLab1_004162
TL;DR: IFLab1_004162 (CAS 477556-22-2) is a chemical compound with molecular formula C19H15NO5S and molecular weight 369.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-1-benzothiophene-2-carboxylate
Also Known As: IFLab1_004162, F0882-0547, methyl 3-(2,3-dihydro-1,4-benzodioxine-6-amido)-1-benzothiophene-2-carboxylate, methyl 3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)benzo[b]thiophene-2-carboxylate, methyl 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-1-benzothiophene-2-carboxylate
| Molecular Formula | C19H15NO5S |
|---|---|
| Molecular Weight | 369.07 g/mol |
| LogP | 3.7114 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 369.0671 |
| Heavy Atoms | 26 |
| Complexity | 1010.33215 |
Chemical Identifiers
| CAS Number | 477556-22-2 |
|---|---|
| SMILES | COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)C3=CC4=C(C=C3)OCCO4 |
Product Overview
IFLab1_004162 (CAS 477556-22-2), with molecular formula C19H15NO5S and molecular weight 369.07 g/mol. IUPAC: methyl 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-1-benzothiophene-2-carboxylate.
Chemical Property Profile of IFLab1_004162
Property Insights of IFLab1_004162
The XLogP value of 3.7114 indicates that IFLab1_004162 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_004162. Following Lipinski's Rule of Five, IFLab1_004162 has 1 hydrogen bond donor(s) and 6 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_004162?
The CAS number of IFLab1_004162 is 477556-22-2.
What is the molecular formula of IFLab1_004162?
The molecular formula of IFLab1_004162 is C19H15NO5S.
What is the molecular weight of IFLab1_004162?
The molecular weight of IFLab1_004162 is 369.07 g/mol.
Where can I buy IFLab1_004162?
You can request a quote for IFLab1_004162 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004162?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004162 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.