TNRA cpd
TL;DR: TNRA cpd (CAS 216776-73-7) is a chemical compound with molecular formula C34H39Cl3N2O6S and molecular weight 708.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R)-2-(3,4-dichlorophenyl)-2-[2-[(2S)-2-oxospiro[1H-2-benzothiophene-3,4'-piperidine]-1'-yl]ethyl]morpholin-4-yl]-(3,4,5-trimethoxyphenyl)methanone;hydrochloride
Also Known As: TNRA cpd, CS 003, SID:136368235, R-113281, (+)-R-113281
| Molecular Formula | C34H39Cl3N2O6S |
|---|---|
| Molecular Weight | 708.16 g/mol |
| LogP | 6.4526 |
| Topological Polar Surface Area | 77.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 708.1594 |
| Heavy Atoms | 46 |
| Complexity | 1590.4382 |
Chemical Identifiers
| CAS Number | 216776-73-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)N2CCO[C@](C2)(CCN3CCC4(CC3)C5=CC=CC=C5C[S@@]4=O)C6=CC(=C(C=C6)Cl)Cl.Cl |
Product Overview
TNRA cpd (CAS 216776-73-7), with molecular formula C34H39Cl3N2O6S and molecular weight 708.16 g/mol. IUPAC: [(2R)-2-(3,4-dichlorophenyl)-2-[2-[(2S)-2-oxospiro[1H-2-benzothiophene-3,4'-piperidine]-1'-yl]ethyl]morpholin-4-yl]-(3,4,5-trimethoxyphenyl)methanone;hydrochloride.
Chemical Property Profile of TNRA cpd
Property Insights of TNRA cpd
The XLogP value of 6.4526 indicates that TNRA cpd is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.54 Ų falls within the moderate polarity range, balancing permeability and solubility for TNRA cpd. Following Lipinski's Rule of Five, TNRA cpd has 0 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 TNRA cpd?
The CAS number of TNRA cpd is 216776-73-7.
What is the molecular formula of TNRA cpd?
The molecular formula of TNRA cpd is C34H39Cl3N2O6S.
What is the molecular weight of TNRA cpd?
The molecular weight of TNRA cpd is 708.16 g/mol.
Where can I buy TNRA cpd?
You can request a quote for TNRA cpd directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TNRA cpd?
Yes, KEHONG BIO provides custom synthesis services for TNRA cpd and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.