n,1-Ditritylhistidine
TL;DR: n,1-Ditritylhistidine (CAS 75681-61-7) is a chemical compound with molecular formula C44H37N3O2 and molecular weight 639.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(tritylamino)-3-(1-tritylimidazol-4-yl)propanoic acid
Also Known As: n,1-ditritylhistidine, Trt-His(Trt)-OH, Trt-L-His(Trt)-OH, Na,nim-ditrityl-L-histidine, 2-(tritylamino)-3-(1-tritylimidazol-4-yl)propanoic acid
| Molecular Formula | C44H37N3O2 |
|---|---|
| Molecular Weight | 639.29 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 639.2886 |
| Heavy Atoms | 49 |
| Complexity | 905.0 |
Chemical Identifiers
| CAS Number | 75681-61-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(CC4=CN(C=N4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)O |
| InChIKey | FFVVHORODDZQPF-UHFFFAOYSA-N |
Product Overview
n,1-Ditritylhistidine (CAS 75681-61-7), with molecular formula C44H37N3O2 and molecular weight 639.29 g/mol. IUPAC: 2-(tritylamino)-3-(1-tritylimidazol-4-yl)propanoic acid.
Chemical Property Profile of n,1-Ditritylhistidine
Property Insights of n,1-Ditritylhistidine
The XLogP value of 6.7 indicates that n,1-Ditritylhistidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for n,1-Ditritylhistidine. Following Lipinski's Rule of Five, n,1-Ditritylhistidine 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 n,1-Ditritylhistidine?
The CAS number of n,1-Ditritylhistidine is 75681-61-7.
What is the molecular formula of n,1-Ditritylhistidine?
The molecular formula of n,1-Ditritylhistidine is C44H37N3O2.
What is the molecular weight of n,1-Ditritylhistidine?
The molecular weight of n,1-Ditritylhistidine is 639.29 g/mol.
Where can I buy n,1-Ditritylhistidine?
You can request a quote for n,1-Ditritylhistidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n,1-Ditritylhistidine?
Yes, KEHONG BIO provides custom synthesis services for n,1-Ditritylhistidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.