S-(N-Monomethoxytritylaminoethyl)-O-(2-chlorophenyl)phosphorothioate
TL;DR: S-(N-Monomethoxytritylaminoethyl)-O-(2-chlorophenyl)phosphorothioate (CAS 116454-97-8) is a chemical compound with molecular formula C28H27ClNO4PS and molecular weight 539.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chlorophenoxy)-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]ethylsulfanyl]phosphinic acid
Also Known As: MCPT, S-(N-Monomethoxytritylaminoethyl)-O-(2-chlorophenyl)phosphorothioate, O-(2-Chlorophenyl) S-(2-(((4-methoxyphenyl)diphenylmethyl)amino)ethyl) phosphorothioate, (2-chlorophenoxy)-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]ethylsulfanyl]phosphinic acid, Phosphorothioic acid, O-(2-chlorophenyl) S-(2-(((4-methoxyphenyl)diphenylmethyl)amino)ethyl) ester
| Molecular Formula | C28H27ClNO4PS |
|---|---|
| Molecular Weight | 539.11 g/mol |
| LogP | 7.1427 |
| Topological Polar Surface Area | 67.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 539.1087 |
| Heavy Atoms | 36 |
| Complexity | 1266.7106 |
Chemical Identifiers
| CAS Number | 116454-97-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NCCSP(=O)(O)OC4=CC=CC=C4Cl |
Product Overview
S-(N-Monomethoxytritylaminoethyl)-O-(2-chlorophenyl)phosphorothioate (CAS 116454-97-8), with molecular formula C28H27ClNO4PS and molecular weight 539.11 g/mol. IUPAC: (2-chlorophenoxy)-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]ethylsulfanyl]phosphinic acid.
Chemical Property Profile of S-(N-Monomethoxytritylaminoethyl)-O-(2-chlorophenyl)phosphorothioate
Property Insights of S-(N-Monomethoxytritylaminoethyl)-O-(2-chlorophenyl)phosphorothioate
The XLogP value of 7.1427 indicates that S-(N-Monomethoxytritylaminoethyl)-O-(2-chlorophenyl)phosphorothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.79 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(N-Monomethoxytritylaminoethyl)-O-(2-chlorophenyl)phosphorothioate. Following Lipinski's Rule of Five, S-(N-Monomethoxytritylaminoethyl)-O-(2-chlorophenyl)phosphorothioate 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 S-(N-Monomethoxytritylaminoethyl)-O-(2-chlorophenyl)phosphorothioate?
The CAS number of S-(N-Monomethoxytritylaminoethyl)-O-(2-chlorophenyl)phosphorothioate is 116454-97-8.
What is the molecular formula of S-(N-Monomethoxytritylaminoethyl)-O-(2-chlorophenyl)phosphorothioate?
The molecular formula of S-(N-Monomethoxytritylaminoethyl)-O-(2-chlorophenyl)phosphorothioate is C28H27ClNO4PS.
What is the molecular weight of S-(N-Monomethoxytritylaminoethyl)-O-(2-chlorophenyl)phosphorothioate?
The molecular weight of S-(N-Monomethoxytritylaminoethyl)-O-(2-chlorophenyl)phosphorothioate is 539.11 g/mol.
Where can I buy S-(N-Monomethoxytritylaminoethyl)-O-(2-chlorophenyl)phosphorothioate?
You can request a quote for S-(N-Monomethoxytritylaminoethyl)-O-(2-chlorophenyl)phosphorothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(N-Monomethoxytritylaminoethyl)-O-(2-chlorophenyl)phosphorothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(N-Monomethoxytritylaminoethyl)-O-(2-chlorophenyl)phosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.