Dicyclohexylamine ((2-nitrophenyl)thio)-DL-alaninate
TL;DR: Dicyclohexylamine ((2-nitrophenyl)thio)-DL-alaninate (CAS 55835-00-2) is a chemical compound with molecular formula C21H33N3O4S and molecular weight 423.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclohexylcyclohexanamine;2-[(2-nitrophenyl)sulfanylamino]propanoic acid
Also Known As: Dicyclohexylamine ((2-nitrophenyl)thio)-DL-alaninate, N-2-Nitrophenylsulfenyl-L-alanine Dicyclohexylammonium Salt, N-cyclohexylcyclohexanamine; 2-[(2-nitrophenyl)sulfanylamino]propanoic acid, N-cyclohexylcyclohexanamine;2-[(2-nitrophenyl)sulfanylamino]propanoic acid, C21H33N3O4S
| Molecular Formula | C21H33N3O4S |
|---|---|
| Molecular Weight | 423.22 g/mol |
| LogP | 4.906 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.21918 |
| Heavy Atoms | 29 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 55835-00-2 |
|---|---|
| SMILES | CC(C(=O)O)NSC1=CC=CC=C1[N+](=O)[O-].C1CCC(CC1)NC2CCCCC2 |
| InChIKey | LGTGUPPUIQQLBP-UHFFFAOYSA-N |
Product Overview
Dicyclohexylamine ((2-nitrophenyl)thio)-DL-alaninate (CAS 55835-00-2), with molecular formula C21H33N3O4S and molecular weight 423.22 g/mol. IUPAC: N-cyclohexylcyclohexanamine;2-[(2-nitrophenyl)sulfanylamino]propanoic acid.
Chemical Property Profile of Dicyclohexylamine ((2-nitrophenyl)thio)-DL-alaninate
Property Insights of Dicyclohexylamine ((2-nitrophenyl)thio)-DL-alaninate
The XLogP value of 4.906 indicates that Dicyclohexylamine ((2-nitrophenyl)thio)-DL-alaninate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dicyclohexylamine ((2-nitrophenyl)thio)-DL-alaninate. Following Lipinski's Rule of Five, Dicyclohexylamine ((2-nitrophenyl)thio)-DL-alaninate has 3 hydrogen bond donor(s) and 7 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 Dicyclohexylamine ((2-nitrophenyl)thio)-DL-alaninate?
The CAS number of Dicyclohexylamine ((2-nitrophenyl)thio)-DL-alaninate is 55835-00-2.
What is the molecular formula of Dicyclohexylamine ((2-nitrophenyl)thio)-DL-alaninate?
The molecular formula of Dicyclohexylamine ((2-nitrophenyl)thio)-DL-alaninate is C21H33N3O4S.
What is the molecular weight of Dicyclohexylamine ((2-nitrophenyl)thio)-DL-alaninate?
The molecular weight of Dicyclohexylamine ((2-nitrophenyl)thio)-DL-alaninate is 423.22 g/mol.
Where can I buy Dicyclohexylamine ((2-nitrophenyl)thio)-DL-alaninate?
You can request a quote for Dicyclohexylamine ((2-nitrophenyl)thio)-DL-alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dicyclohexylamine ((2-nitrophenyl)thio)-DL-alaninate?
Yes, KEHONG BIO provides custom synthesis services for Dicyclohexylamine ((2-nitrophenyl)thio)-DL-alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.