N-Benzothiazol-2-yl-succinamic acid 4-tert-butyl-cyclohexyl ester
TL;DR: N-Benzothiazol-2-yl-succinamic acid 4-tert-butyl-cyclohexyl ester (CAS 330835-78-4) is a chemical compound with molecular formula C21H28N2O3S and molecular weight 388.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butylcyclohexyl) 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate
Also Known As: A0944/0044187, N-Benzothiazol-2-yl-succinamic acid 4-tert-butyl-cyclohexyl ester, (4-tert-butylcyclohexyl) 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate, 4-(tert-butyl)cyclohexyl 4-(benzo[d]thiazol-2-ylamino)-4-oxobutanoate, 4-tert-butylcyclohexyl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate
| Molecular Formula | C21H28N2O3S |
|---|---|
| Molecular Weight | 388.18 g/mol |
| LogP | 5.1631 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.18207 |
| Heavy Atoms | 27 |
| Complexity | 768.1048 |
Chemical Identifiers
| CAS Number | 330835-78-4 |
|---|---|
| SMILES | CC(C)(C)C1CCC(CC1)OC(=O)CCC(=O)NC2=NC3=CC=CC=C3S2 |
Product Overview
N-Benzothiazol-2-yl-succinamic acid 4-tert-butyl-cyclohexyl ester (CAS 330835-78-4), with molecular formula C21H28N2O3S and molecular weight 388.18 g/mol. IUPAC: (4-tert-butylcyclohexyl) 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate.
Chemical Property Profile of N-Benzothiazol-2-yl-succinamic acid 4-tert-butyl-cyclohexyl ester
Property Insights of N-Benzothiazol-2-yl-succinamic acid 4-tert-butyl-cyclohexyl ester
The XLogP value of 5.1631 indicates that N-Benzothiazol-2-yl-succinamic acid 4-tert-butyl-cyclohexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Benzothiazol-2-yl-succinamic acid 4-tert-butyl-cyclohexyl ester. Following Lipinski's Rule of Five, N-Benzothiazol-2-yl-succinamic acid 4-tert-butyl-cyclohexyl ester has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Benzothiazol-2-yl-succinamic acid 4-tert-butyl-cyclohexyl ester?
The CAS number of N-Benzothiazol-2-yl-succinamic acid 4-tert-butyl-cyclohexyl ester is 330835-78-4.
What is the molecular formula of N-Benzothiazol-2-yl-succinamic acid 4-tert-butyl-cyclohexyl ester?
The molecular formula of N-Benzothiazol-2-yl-succinamic acid 4-tert-butyl-cyclohexyl ester is C21H28N2O3S.
What is the molecular weight of N-Benzothiazol-2-yl-succinamic acid 4-tert-butyl-cyclohexyl ester?
The molecular weight of N-Benzothiazol-2-yl-succinamic acid 4-tert-butyl-cyclohexyl ester is 388.18 g/mol.
Where can I buy N-Benzothiazol-2-yl-succinamic acid 4-tert-butyl-cyclohexyl ester?
You can request a quote for N-Benzothiazol-2-yl-succinamic acid 4-tert-butyl-cyclohexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzothiazol-2-yl-succinamic acid 4-tert-butyl-cyclohexyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-Benzothiazol-2-yl-succinamic acid 4-tert-butyl-cyclohexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.