2-Diethylaminoethyl 2-(cyclohexanecarbonylamino)-1,3-benzothiazole-6-carboxylate
TL;DR: 2-Diethylaminoethyl 2-(cyclohexanecarbonylamino)-1,3-benzothiazole-6-carboxylate (CAS 328285-83-2) is a chemical compound with molecular formula C21H29N3O3S and molecular weight 403.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 2-(cyclohexanecarbonylamino)-1,3-benzothiazole-6-carboxylate
Also Known As: BAS 00633968, 2-diethylaminoethyl 2-(cyclohexanecarbonylamino)-1,3-benzothiazole-6-carboxylate, 2-(diethylamino)ethyl 2-(cyclohexylcarbonylamino)benzothiazole-6-carboxylate, 2-(Diethylamino)ethyl 2-[(cyclohexanecarbonyl)amino]-1,3-benzothiazole-6-carboxylate, 2-(Diethylamino)ethyl 2-[(cyclohexylcarbonyl)amino]-6-benzothiazolecarboxylate
| Molecular Formula | C21H29N3O3S |
|---|---|
| Molecular Weight | 403.19 g/mol |
| LogP | 4.3137 |
| Topological Polar Surface Area | 71.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 403.19296 |
| Heavy Atoms | 28 |
| Complexity | 810.32874 |
Chemical Identifiers
| CAS Number | 328285-83-2 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCCC3 |
Product Overview
2-Diethylaminoethyl 2-(cyclohexanecarbonylamino)-1,3-benzothiazole-6-carboxylate (CAS 328285-83-2), with molecular formula C21H29N3O3S and molecular weight 403.19 g/mol. IUPAC: 2-(diethylamino)ethyl 2-(cyclohexanecarbonylamino)-1,3-benzothiazole-6-carboxylate.
Chemical Property Profile of 2-Diethylaminoethyl 2-(cyclohexanecarbonylamino)-1,3-benzothiazole-6-carboxylate
Property Insights of 2-Diethylaminoethyl 2-(cyclohexanecarbonylamino)-1,3-benzothiazole-6-carboxylate
The XLogP value of 4.3137 indicates that 2-Diethylaminoethyl 2-(cyclohexanecarbonylamino)-1,3-benzothiazole-6-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Diethylaminoethyl 2-(cyclohexanecarbonylamino)-1,3-benzothiazole-6-carboxylate. Following Lipinski's Rule of Five, 2-Diethylaminoethyl 2-(cyclohexanecarbonylamino)-1,3-benzothiazole-6-carboxylate 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-Diethylaminoethyl 2-(cyclohexanecarbonylamino)-1,3-benzothiazole-6-carboxylate?
The CAS number of 2-Diethylaminoethyl 2-(cyclohexanecarbonylamino)-1,3-benzothiazole-6-carboxylate is 328285-83-2.
What is the molecular formula of 2-Diethylaminoethyl 2-(cyclohexanecarbonylamino)-1,3-benzothiazole-6-carboxylate?
The molecular formula of 2-Diethylaminoethyl 2-(cyclohexanecarbonylamino)-1,3-benzothiazole-6-carboxylate is C21H29N3O3S.
What is the molecular weight of 2-Diethylaminoethyl 2-(cyclohexanecarbonylamino)-1,3-benzothiazole-6-carboxylate?
The molecular weight of 2-Diethylaminoethyl 2-(cyclohexanecarbonylamino)-1,3-benzothiazole-6-carboxylate is 403.19 g/mol.
Where can I buy 2-Diethylaminoethyl 2-(cyclohexanecarbonylamino)-1,3-benzothiazole-6-carboxylate?
You can request a quote for 2-Diethylaminoethyl 2-(cyclohexanecarbonylamino)-1,3-benzothiazole-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Diethylaminoethyl 2-(cyclohexanecarbonylamino)-1,3-benzothiazole-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Diethylaminoethyl 2-(cyclohexanecarbonylamino)-1,3-benzothiazole-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.