2-(1,3-Benzodioxol-5-ylamino)-4-chloro-1,3-thiazole-5-carbonitrile
TL;DR: 2-(1,3-Benzodioxol-5-ylamino)-4-chloro-1,3-thiazole-5-carbonitrile (CAS 866156-03-8) is a chemical compound with molecular formula C11H6ClN3O2S and molecular weight 278.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-ylamino)-4-chloro-1,3-thiazole-5-carbonitrile
Also Known As: 2-(1,3-benzodioxol-5-ylamino)-4-chloro-1,3-thiazole-5-carbonitrile, 2-[(2H-1,3-benzodioxol-5-yl)amino]-4-chloro-1,3-thiazole-5-carbonitrile, 2-(1,3-benzodioxol-5-ylamino)-4-chloro-thiazole-5-carbonitrile
| Molecular Formula | C11H6ClN3O2S |
|---|---|
| Molecular Weight | 278.99 g/mol |
| LogP | 3.14048 |
| Topological Polar Surface Area | 67.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.98694 |
| Heavy Atoms | 18 |
| Complexity | 650.22327 |
Chemical Identifiers
| CAS Number | 866156-03-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC3=NC(=C(S3)C#N)Cl |
Product Overview
2-(1,3-Benzodioxol-5-ylamino)-4-chloro-1,3-thiazole-5-carbonitrile (CAS 866156-03-8), with molecular formula C11H6ClN3O2S and molecular weight 278.99 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylamino)-4-chloro-1,3-thiazole-5-carbonitrile.
Chemical Property Profile of 2-(1,3-Benzodioxol-5-ylamino)-4-chloro-1,3-thiazole-5-carbonitrile
Property Insights of 2-(1,3-Benzodioxol-5-ylamino)-4-chloro-1,3-thiazole-5-carbonitrile
The XLogP value of 3.14048 indicates that 2-(1,3-Benzodioxol-5-ylamino)-4-chloro-1,3-thiazole-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzodioxol-5-ylamino)-4-chloro-1,3-thiazole-5-carbonitrile. Following Lipinski's Rule of Five, 2-(1,3-Benzodioxol-5-ylamino)-4-chloro-1,3-thiazole-5-carbonitrile 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 2-(1,3-Benzodioxol-5-ylamino)-4-chloro-1,3-thiazole-5-carbonitrile?
The CAS number of 2-(1,3-Benzodioxol-5-ylamino)-4-chloro-1,3-thiazole-5-carbonitrile is 866156-03-8.
What is the molecular formula of 2-(1,3-Benzodioxol-5-ylamino)-4-chloro-1,3-thiazole-5-carbonitrile?
The molecular formula of 2-(1,3-Benzodioxol-5-ylamino)-4-chloro-1,3-thiazole-5-carbonitrile is C11H6ClN3O2S.
What is the molecular weight of 2-(1,3-Benzodioxol-5-ylamino)-4-chloro-1,3-thiazole-5-carbonitrile?
The molecular weight of 2-(1,3-Benzodioxol-5-ylamino)-4-chloro-1,3-thiazole-5-carbonitrile is 278.99 g/mol.
Where can I buy 2-(1,3-Benzodioxol-5-ylamino)-4-chloro-1,3-thiazole-5-carbonitrile?
You can request a quote for 2-(1,3-Benzodioxol-5-ylamino)-4-chloro-1,3-thiazole-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzodioxol-5-ylamino)-4-chloro-1,3-thiazole-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzodioxol-5-ylamino)-4-chloro-1,3-thiazole-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.