C13H9IN2OS
TL;DR: C13H9IN2OS (CAS 374086-34-7) is a chemical compound with molecular formula C13H9IN2OS and molecular weight 367.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-(5-iodofuran-2-yl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
Also Known As: (E)-2-(((5-iodofuran-2-yl)methylene)amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile, 2-{[(E)-(5-iodofuran-2-yl)methylidene]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
| Molecular Formula | C13H9IN2OS |
|---|---|
| Molecular Weight | 367.95 g/mol |
| LogP | 4.05668 |
| Topological Polar Surface Area | 49.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 367.94803 |
| Heavy Atoms | 18 |
| Complexity | 663.0746 |
Chemical Identifiers
| CAS Number | 374086-34-7 |
|---|---|
| SMILES | C1CC2=C(C1)SC(=C2C#N)/N=C/C3=CC=C(O3)I |
Product Overview
C13H9IN2OS (CAS 374086-34-7), with molecular formula C13H9IN2OS and molecular weight 367.95 g/mol. IUPAC: 2-[(E)-(5-iodofuran-2-yl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile.
Chemical Property Profile of C13H9IN2OS
Property Insights of C13H9IN2OS
The XLogP value of 4.05668 indicates that C13H9IN2OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.29 Ų, C13H9IN2OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C13H9IN2OS 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 C13H9IN2OS?
The CAS number of C13H9IN2OS is 374086-34-7.
What is the molecular formula of C13H9IN2OS?
The molecular formula of C13H9IN2OS is C13H9IN2OS.
What is the molecular weight of C13H9IN2OS?
The molecular weight of C13H9IN2OS is 367.95 g/mol.
Where can I buy C13H9IN2OS?
You can request a quote for C13H9IN2OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C13H9IN2OS?
Yes, KEHONG BIO provides custom synthesis services for C13H9IN2OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.