A1776/0075279
TL;DR: A1776/0075279 (CAS 304666-55-5) is a chemical compound with molecular formula C15H14N2S2 and molecular weight 286.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-(5-methylthiophen-2-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Also Known As: A1776/0075279, 2-{[(5-methyl-2-thienyl)methylene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, 2-[(E)-(5-methylthiophen-2-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, 2-[(1E)-2-(5-methyl(2-thienyl))-1-azavinyl]-4,5,6,7-tetrahydrobenzo[b]thiophen e-3-carbonitrile, 2-[(E)-[(5-METHYLTHIOPHEN-2-YL)METHYLIDENE]AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBONITRILE
| Molecular Formula | C15H14N2S2 |
|---|---|
| Molecular Weight | 286.06 g/mol |
| LogP | 4.6191 |
| Topological Polar Surface Area | 36.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.05984 |
| Heavy Atoms | 19 |
| Complexity | 670.8673 |
Chemical Identifiers
| CAS Number | 304666-55-5 |
|---|---|
| SMILES | CC1=CC=C(S1)/C=N/C2=C(C3=C(S2)CCCC3)C#N |
Product Overview
A1776/0075279 (CAS 304666-55-5), with molecular formula C15H14N2S2 and molecular weight 286.06 g/mol. IUPAC: 2-[(E)-(5-methylthiophen-2-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile.
Chemical Property Profile of A1776/0075279
Property Insights of A1776/0075279
The XLogP value of 4.6191 indicates that A1776/0075279 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.15 Ų, A1776/0075279 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A1776/0075279 has 0 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 A1776/0075279?
The CAS number of A1776/0075279 is 304666-55-5.
What is the molecular formula of A1776/0075279?
The molecular formula of A1776/0075279 is C15H14N2S2.
What is the molecular weight of A1776/0075279?
The molecular weight of A1776/0075279 is 286.06 g/mol.
Where can I buy A1776/0075279?
You can request a quote for A1776/0075279 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1776/0075279?
Yes, KEHONG BIO provides custom synthesis services for A1776/0075279 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.