F1301-0089
TL;DR: F1301-0089 (CAS 864937-85-9) is a chemical compound with molecular formula C15H16N2O3S and molecular weight 304.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
Also Known As: F1301-0089, N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide, N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide, N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide, N-(3-cyano-6-methyl-1-thia-4,5,6,7-tetrahydro-2-indenyl)-5,6-dihydro-1,4-dioxin-2-carboxamide
| Molecular Formula | C15H16N2O3S |
|---|---|
| Molecular Weight | 304.09 g/mol |
| LogP | 2.57128 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.08817 |
| Heavy Atoms | 21 |
| Complexity | 642.0793 |
Chemical Identifiers
| CAS Number | 864937-85-9 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=COCCO3 |
Product Overview
F1301-0089 (CAS 864937-85-9), with molecular formula C15H16N2O3S and molecular weight 304.09 g/mol. IUPAC: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
Chemical Property Profile of F1301-0089
Property Insights of F1301-0089
The XLogP value of 2.57128 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1301-0089. The TPSA of 71.35 Ų falls within the moderate polarity range, balancing permeability and solubility for F1301-0089. Following Lipinski's Rule of Five, F1301-0089 has 1 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 F1301-0089?
The CAS number of F1301-0089 is 864937-85-9.
What is the molecular formula of F1301-0089?
The molecular formula of F1301-0089 is C15H16N2O3S.
What is the molecular weight of F1301-0089?
The molecular weight of F1301-0089 is 304.09 g/mol.
Where can I buy F1301-0089?
You can request a quote for F1301-0089 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1301-0089?
Yes, KEHONG BIO provides custom synthesis services for F1301-0089 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.