L-Histidine,N,1-tris(2-cyanoethyl)-
TL;DR: L-Histidine,N,1-tris(2-cyanoethyl)- (CAS 104691-40-9) is a chemical compound with molecular formula C15H18N6O2 and molecular weight 314.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-cyanoethyl)amino]-3-[1-(2-cyanoethyl)imidazol-4-yl]propanoic acid
Also Known As: n,n,1-tris(2-cyanoethyl)histidine, L-Histidine,N,1-tris(2-cyanoethyl)-, 2-[bis(2-cyanoethyl)amino]-3-[1-(2-cyanoethyl)imidazol-4-yl]propanoic acid, WLN: T5N CNJ A2CN DY2CN&YVQM2CN
| Molecular Formula | C15H18N6O2 |
|---|---|
| Molecular Weight | 314.15 g/mol |
| LogP | -3.3 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 314.1491 |
| Heavy Atoms | 23 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 104691-40-9 |
|---|---|
| SMILES | C1=C(N=CN1CCC#N)CC(C(=O)O)N(CCC#N)CCC#N |
| InChIKey | IQBIPWSBSBQKND-UHFFFAOYSA-N |
Product Overview
L-Histidine,N,1-tris(2-cyanoethyl)- (CAS 104691-40-9), with molecular formula C15H18N6O2 and molecular weight 314.15 g/mol. IUPAC: 2-[bis(2-cyanoethyl)amino]-3-[1-(2-cyanoethyl)imidazol-4-yl]propanoic acid.
Chemical Property Profile of L-Histidine,N,1-tris(2-cyanoethyl)-
Property Insights of L-Histidine,N,1-tris(2-cyanoethyl)-
The XLogP value of -3.3 indicates that L-Histidine,N,1-tris(2-cyanoethyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for L-Histidine,N,1-tris(2-cyanoethyl)-. Following Lipinski's Rule of Five, L-Histidine,N,1-tris(2-cyanoethyl)- has 1 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 L-Histidine,N,1-tris(2-cyanoethyl)-?
The CAS number of L-Histidine,N,1-tris(2-cyanoethyl)- is 104691-40-9.
What is the molecular formula of L-Histidine,N,1-tris(2-cyanoethyl)-?
The molecular formula of L-Histidine,N,1-tris(2-cyanoethyl)- is C15H18N6O2.
What is the molecular weight of L-Histidine,N,1-tris(2-cyanoethyl)-?
The molecular weight of L-Histidine,N,1-tris(2-cyanoethyl)- is 314.15 g/mol.
Where can I buy L-Histidine,N,1-tris(2-cyanoethyl)-?
You can request a quote for L-Histidine,N,1-tris(2-cyanoethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-Histidine,N,1-tris(2-cyanoethyl)-?
Yes, KEHONG BIO provides custom synthesis services for L-Histidine,N,1-tris(2-cyanoethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.