![3-Chloro-5-[(4-methoxyphenethyl)amino]-4-isothiazolecarbonitrile structure](/static/products/866/866009-34-9.png)
3-Chloro-5-[(4-methoxyphenethyl)amino]-4-isothiazolecarbonitrile
TL;DR: 3-Chloro-5-[(4-methoxyphenethyl)amino]-4-isothiazolecarbonitrile (CAS 866009-34-9) is a chemical compound with molecular formula C13H12ClN3OS and molecular weight 293.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-5-[2-(4-methoxyphenyl)ethylamino]-1,2-thiazole-4-carbonitrile
Also Known As: 3-chloro-5-[(4-methoxyphenethyl)amino]-4-isothiazolecarbonitrile, 3-chloro-5-{[2-(4-methoxyphenyl)ethyl]amino}-1,2-thiazole-4-carbonitrile, 3-chloro-5-[2-(4-methoxyphenyl)ethylamino]-1,2-thiazole-4-carbonitrile, 3-chloro-5-[2-(4-methoxyphenyl)ethylamino]isothiazole-4-carbonitrile
| Molecular Formula | C13H12ClN3OS |
|---|---|
| Molecular Weight | 293.04 g/mol |
| LogP | 3.33138 |
| Topological Polar Surface Area | 57.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 293.03897 |
| Heavy Atoms | 19 |
| Complexity | 588.9261 |
Chemical Identifiers
| CAS Number | 866009-34-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CCNC2=C(C(=NS2)Cl)C#N |
Product Overview
3-Chloro-5-[(4-methoxyphenethyl)amino]-4-isothiazolecarbonitrile (CAS 866009-34-9), with molecular formula C13H12ClN3OS and molecular weight 293.04 g/mol. IUPAC: 3-chloro-5-[2-(4-methoxyphenyl)ethylamino]-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 3-Chloro-5-[(4-methoxyphenethyl)amino]-4-isothiazolecarbonitrile
Property Insights of 3-Chloro-5-[(4-methoxyphenethyl)amino]-4-isothiazolecarbonitrile
The XLogP value of 3.33138 indicates that 3-Chloro-5-[(4-methoxyphenethyl)amino]-4-isothiazolecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.94 Ų, 3-Chloro-5-[(4-methoxyphenethyl)amino]-4-isothiazolecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-5-[(4-methoxyphenethyl)amino]-4-isothiazolecarbonitrile 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 3-Chloro-5-[(4-methoxyphenethyl)amino]-4-isothiazolecarbonitrile?
The CAS number of 3-Chloro-5-[(4-methoxyphenethyl)amino]-4-isothiazolecarbonitrile is 866009-34-9.
What is the molecular formula of 3-Chloro-5-[(4-methoxyphenethyl)amino]-4-isothiazolecarbonitrile?
The molecular formula of 3-Chloro-5-[(4-methoxyphenethyl)amino]-4-isothiazolecarbonitrile is C13H12ClN3OS.
What is the molecular weight of 3-Chloro-5-[(4-methoxyphenethyl)amino]-4-isothiazolecarbonitrile?
The molecular weight of 3-Chloro-5-[(4-methoxyphenethyl)amino]-4-isothiazolecarbonitrile is 293.04 g/mol.
Where can I buy 3-Chloro-5-[(4-methoxyphenethyl)amino]-4-isothiazolecarbonitrile?
You can request a quote for 3-Chloro-5-[(4-methoxyphenethyl)amino]-4-isothiazolecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-5-[(4-methoxyphenethyl)amino]-4-isothiazolecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-5-[(4-methoxyphenethyl)amino]-4-isothiazolecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.