EINECS 258-076-8
TL;DR: EINECS 258-076-8 (CAS 52657-56-4) is a chemical compound with molecular formula C23H44N2O3 and molecular weight 396.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(2S)-4-methyl-1-oxopentan-2-yl]carbamate;N-cyclohexylcyclohexanamine
Also Known As: N-(tert-Butoxycarbonyl)-L-leucine, compound with dicyclohexylamine(1:1), tert-butyl[(2s)-4-methyl-1-oxopentan-2-yl]carbamate- n-cyclohexylcyclohexanamine(1:1), tert-butyl N-[(2S)-4-methyl-1-oxopentan-2-yl]carbamate; N-cyclohexylcyclohexanamine, L-Leucine, N-((1,1-dimethylethoxy)carbonyl)-, compd. with N-cyclohexylcyclohexanamine (1:1), EINECS 258-076-8
| Molecular Formula | C23H44N2O3 |
|---|---|
| Molecular Weight | 396.34 g/mol |
| LogP | 5.37 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 396.3352 |
| Heavy Atoms | 28 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 52657-56-4 |
|---|---|
| SMILES | CC(C)C[C@@H](C=O)NC(=O)OC(C)(C)C.C1CCC(CC1)NC2CCCCC2 |
| InChIKey | IFYWWPMWXSELDJ-NPULLEENSA-N |
Product Overview
EINECS 258-076-8 (CAS 52657-56-4), with molecular formula C23H44N2O3 and molecular weight 396.34 g/mol. IUPAC: tert-butyl N-[(2S)-4-methyl-1-oxopentan-2-yl]carbamate;N-cyclohexylcyclohexanamine.
Chemical Property Profile of EINECS 258-076-8
Property Insights of EINECS 258-076-8
The XLogP value of 5.37 indicates that EINECS 258-076-8 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 258-076-8. Following Lipinski's Rule of Five, EINECS 258-076-8 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 258-076-8?
The CAS number of EINECS 258-076-8 is 52657-56-4.
What is the molecular formula of EINECS 258-076-8?
The molecular formula of EINECS 258-076-8 is C23H44N2O3.
What is the molecular weight of EINECS 258-076-8?
The molecular weight of EINECS 258-076-8 is 396.34 g/mol.
Where can I buy EINECS 258-076-8?
You can request a quote for EINECS 258-076-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 258-076-8?
Yes, KEHONG BIO provides custom synthesis services for EINECS 258-076-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.