4-Tert-butylcyclohexyl 4-(benzylamino)-4-oxobutanoate
TL;DR: 4-Tert-butylcyclohexyl 4-(benzylamino)-4-oxobutanoate (CAS 314767-37-8) is a chemical compound with molecular formula C21H31NO3 and molecular weight 345.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butylcyclohexyl) 4-(benzylamino)-4-oxobutanoate
Also Known As: 4-tert-butylcyclohexyl 4-(benzylamino)-4-oxobutanoate, 4-(tert-butyl)cyclohexyl 4-(benzylamino)-4-oxobutanoate, (4-tert-butylcyclohexyl) 4-(benzylamino)-4-oxobutanoate, 4-(tert-butyl)cyclohexyl 3-[N-benzylcarbamoyl]propanoate, 4-TERT-BUTYLCYCLOHEXYL 3-(BENZYLCARBAMOYL)PROPANOATE
| Molecular Formula | C21H31NO3 |
|---|---|
| Molecular Weight | 345.23 g/mol |
| LogP | 4.2311 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.2304 |
| Heavy Atoms | 25 |
| Complexity | 554.2539 |
Chemical Identifiers
| CAS Number | 314767-37-8 |
|---|---|
| SMILES | CC(C)(C)C1CCC(CC1)OC(=O)CCC(=O)NCC2=CC=CC=C2 |
Product Overview
4-Tert-butylcyclohexyl 4-(benzylamino)-4-oxobutanoate (CAS 314767-37-8), with molecular formula C21H31NO3 and molecular weight 345.23 g/mol. IUPAC: (4-tert-butylcyclohexyl) 4-(benzylamino)-4-oxobutanoate.
Chemical Property Profile of 4-Tert-butylcyclohexyl 4-(benzylamino)-4-oxobutanoate
Property Insights of 4-Tert-butylcyclohexyl 4-(benzylamino)-4-oxobutanoate
The XLogP value of 4.2311 indicates that 4-Tert-butylcyclohexyl 4-(benzylamino)-4-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 4-Tert-butylcyclohexyl 4-(benzylamino)-4-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Tert-butylcyclohexyl 4-(benzylamino)-4-oxobutanoate has 1 hydrogen bond donor(s) and 3 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 4-Tert-butylcyclohexyl 4-(benzylamino)-4-oxobutanoate?
The CAS number of 4-Tert-butylcyclohexyl 4-(benzylamino)-4-oxobutanoate is 314767-37-8.
What is the molecular formula of 4-Tert-butylcyclohexyl 4-(benzylamino)-4-oxobutanoate?
The molecular formula of 4-Tert-butylcyclohexyl 4-(benzylamino)-4-oxobutanoate is C21H31NO3.
What is the molecular weight of 4-Tert-butylcyclohexyl 4-(benzylamino)-4-oxobutanoate?
The molecular weight of 4-Tert-butylcyclohexyl 4-(benzylamino)-4-oxobutanoate is 345.23 g/mol.
Where can I buy 4-Tert-butylcyclohexyl 4-(benzylamino)-4-oxobutanoate?
You can request a quote for 4-Tert-butylcyclohexyl 4-(benzylamino)-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Tert-butylcyclohexyl 4-(benzylamino)-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Tert-butylcyclohexyl 4-(benzylamino)-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.