2R-0054
TL;DR: 2R-0054 (CAS 477768-12-0) is a chemical compound with molecular formula C24H43N3O4S and molecular weight 469.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[1-(azepan-1-yl)-3-[4-(azepan-1-yl)-4-oxobutyl]sulfanyl-1-oxopropan-2-yl]carbamate
Also Known As: 2R-0054, tert-butyl N-[2-(1-azepanyl)-1-({[4-(1-azepanyl)-4-oxobutyl]sulfanyl}methyl)-2-oxoethyl]carbamate, tert-butyl N-[1-(azepan-1-yl)-3-[4-(azepan-1-yl)-4-oxobutyl]sulfanyl-1-oxopropan-2-yl]carbamate, tert-butyl N-[1-(azepan-1-yl)-3-{[4-(azepan-1-yl)-4-oxobutyl]sulfanyl}-1-oxopropan-2-yl]carbamate, Carbamic acid, [2-(hexahydro-1H-azepin-1-yl)-1-[[[4-(hexahydro-1H-azepin-1-yl)-4-oxobutyl]thio]methyl]-2-oxoethyl]-, 1,1-dimethylethyl ester
| Molecular Formula | C24H43N3O4S |
|---|---|
| Molecular Weight | 469.30 g/mol |
| LogP | 4.1983 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 469.29742 |
| Heavy Atoms | 32 |
| Complexity | 592.542 |
Chemical Identifiers
| CAS Number | 477768-12-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC(CSCCCC(=O)N1CCCCCC1)C(=O)N2CCCCCC2 |
Product Overview
2R-0054 (CAS 477768-12-0), with molecular formula C24H43N3O4S and molecular weight 469.30 g/mol. IUPAC: tert-butyl N-[1-(azepan-1-yl)-3-[4-(azepan-1-yl)-4-oxobutyl]sulfanyl-1-oxopropan-2-yl]carbamate.
Chemical Property Profile of 2R-0054
Property Insights of 2R-0054
The XLogP value of 4.1983 indicates that 2R-0054 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 2R-0054. Following Lipinski's Rule of Five, 2R-0054 has 1 hydrogen bond donor(s) and 5 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 2R-0054?
The CAS number of 2R-0054 is 477768-12-0.
What is the molecular formula of 2R-0054?
The molecular formula of 2R-0054 is C24H43N3O4S.
What is the molecular weight of 2R-0054?
The molecular weight of 2R-0054 is 469.30 g/mol.
Where can I buy 2R-0054?
You can request a quote for 2R-0054 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2R-0054?
Yes, KEHONG BIO provides custom synthesis services for 2R-0054 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.