N-epsilon-lithocholyllysine
TL;DR: N-epsilon-lithocholyllysine (CAS 35554-26-8) is a chemical compound with molecular formula C30H52N2O4 and molecular weight 504.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-6-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]hexanoic acid
Also Known As: N-epsilon-Lithocholyllysine, Lithocholyl-epsilon-L-lysine, 1-phenyl-5-methyl-2-hexyn-1-one, N~6~-(3,24-Dihydroxycholan-24-ylidene)lysine, n6-[(3
| Molecular Formula | C30H52N2O4 |
|---|---|
| Molecular Weight | 504.39 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 504.3927 |
| Heavy Atoms | 36 |
| Complexity | 789.0 |
Chemical Identifiers
| CAS Number | 35554-26-8 |
|---|---|
| SMILES | C[C@H](CCC(=O)NCCCC[C@@H](C(=O)O)N)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C |
| InChIKey | SOAQBBCJNVBHNR-FGUUPDTHSA-N |
Product Overview
N-epsilon-lithocholyllysine (CAS 35554-26-8), with molecular formula C30H52N2O4 and molecular weight 504.39 g/mol. IUPAC: (2S)-2-amino-6-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]hexanoic acid.
Chemical Property Profile of N-epsilon-lithocholyllysine
Property Insights of N-epsilon-lithocholyllysine
The XLogP value of 3.5 indicates that N-epsilon-lithocholyllysine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-epsilon-lithocholyllysine. Following Lipinski's Rule of Five, N-epsilon-lithocholyllysine has 4 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-epsilon-lithocholyllysine?
The CAS number of N-epsilon-lithocholyllysine is 35554-26-8.
What is the molecular formula of N-epsilon-lithocholyllysine?
The molecular formula of N-epsilon-lithocholyllysine is C30H52N2O4.
What is the molecular weight of N-epsilon-lithocholyllysine?
The molecular weight of N-epsilon-lithocholyllysine is 504.39 g/mol.
Where can I buy N-epsilon-lithocholyllysine?
You can request a quote for N-epsilon-lithocholyllysine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-epsilon-lithocholyllysine?
Yes, KEHONG BIO provides custom synthesis services for N-epsilon-lithocholyllysine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.