2-[(2,4-dioxo-1,3-ditritylpyrimidin-5-yl)-(2-hydroxyethyl)am
TL;DR: 2-[(2,4-dioxo-1,3-ditritylpyrimidin-5-yl)-(2-hydroxyethyl)am (CAS 16869-90-2) is a chemical compound with molecular formula C53H47N3O6S and molecular weight 853.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,4-dioxo-1,3-ditritylpyrimidin-5-yl)-(2-hydroxyethyl)amino]ethyl 4-methylbenzenesulfonate
Also Known As: 2-[(2,4-dioxo-1,3-ditritylpyrimidin-5-yl)-(2-hydroxyethyl)am, 1,3-Ditrityl-5-
| Molecular Formula | C53H47N3O6S |
|---|---|
| Molecular Weight | 853.32 g/mol |
| LogP | 9.7 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 16 |
| Exact Mass | 853.31854 |
| Heavy Atoms | 63 |
| Complexity | 1510.0 |
Chemical Identifiers
| CAS Number | 16869-90-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCN(CCO)C2=CN(C(=O)N(C2=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8 |
| InChIKey | VEZWDELQNUTNOP-UHFFFAOYSA-N |
Product Overview
2-[(2,4-dioxo-1,3-ditritylpyrimidin-5-yl)-(2-hydroxyethyl)am (CAS 16869-90-2), with molecular formula C53H47N3O6S and molecular weight 853.32 g/mol. IUPAC: 2-[(2,4-dioxo-1,3-ditritylpyrimidin-5-yl)-(2-hydroxyethyl)amino]ethyl 4-methylbenzenesulfonate.
Chemical Property Profile of 2-[(2,4-dioxo-1,3-ditritylpyrimidin-5-yl)-(2-hydroxyethyl)am
Property Insights of 2-[(2,4-dioxo-1,3-ditritylpyrimidin-5-yl)-(2-hydroxyethyl)am
The XLogP value of 9.7 indicates that 2-[(2,4-dioxo-1,3-ditritylpyrimidin-5-yl)-(2-hydroxyethyl)am is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2,4-dioxo-1,3-ditritylpyrimidin-5-yl)-(2-hydroxyethyl)am. Following Lipinski's Rule of Five, 2-[(2,4-dioxo-1,3-ditritylpyrimidin-5-yl)-(2-hydroxyethyl)am has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(2,4-dioxo-1,3-ditritylpyrimidin-5-yl)-(2-hydroxyethyl)am?
The CAS number of 2-[(2,4-dioxo-1,3-ditritylpyrimidin-5-yl)-(2-hydroxyethyl)am is 16869-90-2.
What is the molecular formula of 2-[(2,4-dioxo-1,3-ditritylpyrimidin-5-yl)-(2-hydroxyethyl)am?
The molecular formula of 2-[(2,4-dioxo-1,3-ditritylpyrimidin-5-yl)-(2-hydroxyethyl)am is C53H47N3O6S.
What is the molecular weight of 2-[(2,4-dioxo-1,3-ditritylpyrimidin-5-yl)-(2-hydroxyethyl)am?
The molecular weight of 2-[(2,4-dioxo-1,3-ditritylpyrimidin-5-yl)-(2-hydroxyethyl)am is 853.32 g/mol.
Where can I buy 2-[(2,4-dioxo-1,3-ditritylpyrimidin-5-yl)-(2-hydroxyethyl)am?
You can request a quote for 2-[(2,4-dioxo-1,3-ditritylpyrimidin-5-yl)-(2-hydroxyethyl)am directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2,4-dioxo-1,3-ditritylpyrimidin-5-yl)-(2-hydroxyethyl)am?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2,4-dioxo-1,3-ditritylpyrimidin-5-yl)-(2-hydroxyethyl)am and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.