IFLab1_005548
TL;DR: IFLab1_005548 (CAS 864938-60-3) is a chemical compound with molecular formula C14H16N2O4S and molecular weight 308.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
Also Known As: IFLab1_005548, IDI1_010951, AB00673953-01, F1301-0239, N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
| Molecular Formula | C14H16N2O4S |
|---|---|
| Molecular Weight | 308.08 g/mol |
| LogP | 1.5525 |
| Topological Polar Surface Area | 90.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.08307 |
| Heavy Atoms | 21 |
| Complexity | 620.73535 |
Chemical Identifiers
| CAS Number | 864938-60-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=COCCO3)C(=O)N |
Product Overview
IFLab1_005548 (CAS 864938-60-3), with molecular formula C14H16N2O4S and molecular weight 308.08 g/mol. IUPAC: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
Chemical Property Profile of IFLab1_005548
Property Insights of IFLab1_005548
The XLogP value of 1.5525 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_005548. The TPSA of 90.65 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_005548. Following Lipinski's Rule of Five, IFLab1_005548 has 2 hydrogen bond donor(s) and 5 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_005548?
The CAS number of IFLab1_005548 is 864938-60-3.
What is the molecular formula of IFLab1_005548?
The molecular formula of IFLab1_005548 is C14H16N2O4S.
What is the molecular weight of IFLab1_005548?
The molecular weight of IFLab1_005548 is 308.08 g/mol.
Where can I buy IFLab1_005548?
You can request a quote for IFLab1_005548 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005548?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005548 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.