n,s-Ditritylcysteinylproline
TL;DR: n,s-Ditritylcysteinylproline (CAS 35959-86-5) is a chemical compound with molecular formula C46H42N2O3S and molecular weight 702.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(tritylamino)-3-tritylsulfanylpropanoyl]pyrrolidine-2-carboxylic acid
Also Known As: n,s-ditritylcysteinylproline, N,S-Bis(triphenylmethyl)cysteinylproline, 1-[2-(tritylamino)-3-tritylsulfanylpropanoyl]pyrrolidine-2-carboxylic acid
| Molecular Formula | C46H42N2O3S |
|---|---|
| Molecular Weight | 702.29 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 702.2916 |
| Heavy Atoms | 52 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 35959-86-5 |
|---|---|
| SMILES | C1CC(N(C1)C(=O)C(CSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)O |
| InChIKey | BLDQRSJYJVHQPA-UHFFFAOYSA-N |
Product Overview
n,s-Ditritylcysteinylproline (CAS 35959-86-5), with molecular formula C46H42N2O3S and molecular weight 702.29 g/mol. IUPAC: 1-[2-(tritylamino)-3-tritylsulfanylpropanoyl]pyrrolidine-2-carboxylic acid.
Chemical Property Profile of n,s-Ditritylcysteinylproline
Property Insights of n,s-Ditritylcysteinylproline
The XLogP value of 6.9 indicates that n,s-Ditritylcysteinylproline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for n,s-Ditritylcysteinylproline. Following Lipinski's Rule of Five, n,s-Ditritylcysteinylproline has 2 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,s-Ditritylcysteinylproline?
The CAS number of n,s-Ditritylcysteinylproline is 35959-86-5.
What is the molecular formula of n,s-Ditritylcysteinylproline?
The molecular formula of n,s-Ditritylcysteinylproline is C46H42N2O3S.
What is the molecular weight of n,s-Ditritylcysteinylproline?
The molecular weight of n,s-Ditritylcysteinylproline is 702.29 g/mol.
Where can I buy n,s-Ditritylcysteinylproline?
You can request a quote for n,s-Ditritylcysteinylproline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n,s-Ditritylcysteinylproline?
Yes, KEHONG BIO provides custom synthesis services for n,s-Ditritylcysteinylproline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.