![3-Chloro-5-[(2-morpholinoethyl)amino]-4-isothiazolecarbonitrile structure](/static/products/866/866009-32-7.png)
3-Chloro-5-[(2-morpholinoethyl)amino]-4-isothiazolecarbonitrile
TL;DR: 3-Chloro-5-[(2-morpholinoethyl)amino]-4-isothiazolecarbonitrile (CAS 866009-32-7) is a chemical compound with molecular formula C10H13ClN4OS and molecular weight 272.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-5-(2-morpholin-4-ylethylamino)-1,2-thiazole-4-carbonitrile
Also Known As: 3-chloro-5-[(2-morpholinoethyl)amino]-4-isothiazolecarbonitrile, 3-chloro-5-{[2-(morpholin-4-yl)ethyl]amino}-1,2-thiazole-4-carbonitrile, 3-chloro-5-(2-morpholin-4-ylethylamino)-1,2-thiazole-4-carbonitrile, 3-chloro-5-(2-morpholinoethylamino)isothiazole-4-carbonitrile, C10H13ClN4OS
| Molecular Formula | C10H13ClN4OS |
|---|---|
| Molecular Weight | 272.05 g/mol |
| LogP | 1.41228 |
| Topological Polar Surface Area | 61.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.04987 |
| Heavy Atoms | 17 |
| Complexity | 410.92865 |
Chemical Identifiers
| CAS Number | 866009-32-7 |
|---|---|
| SMILES | C1COCCN1CCNC2=C(C(=NS2)Cl)C#N |
Product Overview
3-Chloro-5-[(2-morpholinoethyl)amino]-4-isothiazolecarbonitrile (CAS 866009-32-7), with molecular formula C10H13ClN4OS and molecular weight 272.05 g/mol. IUPAC: 3-chloro-5-(2-morpholin-4-ylethylamino)-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 3-Chloro-5-[(2-morpholinoethyl)amino]-4-isothiazolecarbonitrile
Property Insights of 3-Chloro-5-[(2-morpholinoethyl)amino]-4-isothiazolecarbonitrile
The XLogP value of 1.41228 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-5-[(2-morpholinoethyl)amino]-4-isothiazolecarbonitrile. The TPSA of 61.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-5-[(2-morpholinoethyl)amino]-4-isothiazolecarbonitrile. Following Lipinski's Rule of Five, 3-Chloro-5-[(2-morpholinoethyl)amino]-4-isothiazolecarbonitrile has 1 hydrogen bond donor(s) and 6 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-[(2-morpholinoethyl)amino]-4-isothiazolecarbonitrile?
The CAS number of 3-Chloro-5-[(2-morpholinoethyl)amino]-4-isothiazolecarbonitrile is 866009-32-7.
What is the molecular formula of 3-Chloro-5-[(2-morpholinoethyl)amino]-4-isothiazolecarbonitrile?
The molecular formula of 3-Chloro-5-[(2-morpholinoethyl)amino]-4-isothiazolecarbonitrile is C10H13ClN4OS.
What is the molecular weight of 3-Chloro-5-[(2-morpholinoethyl)amino]-4-isothiazolecarbonitrile?
The molecular weight of 3-Chloro-5-[(2-morpholinoethyl)amino]-4-isothiazolecarbonitrile is 272.05 g/mol.
Where can I buy 3-Chloro-5-[(2-morpholinoethyl)amino]-4-isothiazolecarbonitrile?
You can request a quote for 3-Chloro-5-[(2-morpholinoethyl)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-[(2-morpholinoethyl)amino]-4-isothiazolecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-5-[(2-morpholinoethyl)amino]-4-isothiazolecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.