VGDEDKUKP2
TL;DR: VGDEDKUKP2 (CAS 191672-52-3) is a chemical compound with molecular formula C34H38Cl2N2O6S and molecular weight 672.18 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-(2-oxospiro[1H-2-benzothiophene-3,4'-piperidine]-1'-yl)ethyl]morpholin-4-yl]-(3,4,5-trimethoxyphenyl)methanone
Also Known As: R-113281 free base, J1.373.528J, ((2R)-2-(3,4-Dichlorophenyl)-2-(2-(2-oxospiro(1H-2-benzothiophene-3,4'-piperidine)-1'-yl)ethyl)morpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone, [(2R)-2-(3,4-dichlorophenyl)-2-[2-(2-oxospiro[1H-2-benzothiophene-3,4'-piperidine]-1'-yl)ethyl]morpholin-4-yl]-(3,4,5-trimethoxyphenyl)methanone, 1 -[2-[(2R)-2-(3,4-Dichlorophenyl)-4-(3,4,5-trimethoxybenzoyl)morpholine-2-yl]ethyl]spiro[benzo[c]thiophene-1(3H),4 -piperidine]2-oxide
| Molecular Formula | C34H38Cl2N2O6S |
|---|---|
| Molecular Weight | 672.18 g/mol |
| LogP | 6.0308 |
| Topological Polar Surface Area | 77.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 672.18274 |
| Heavy Atoms | 45 |
| Complexity | 1586.2427 |
Chemical Identifiers
| CAS Number | 191672-52-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)N2CCO[C@](C2)(CCN3CCC4(CC3)C5=CC=CC=C5CS4=O)C6=CC(=C(C=C6)Cl)Cl |
Product Overview
VGDEDKUKP2 (CAS 191672-52-3), with molecular formula C34H38Cl2N2O6S and molecular weight 672.18 g/mol. IUPAC: [(2R)-2-(3,4-dichlorophenyl)-2-[2-(2-oxospiro[1H-2-benzothiophene-3,4'-piperidine]-1'-yl)ethyl]morpholin-4-yl]-(3,4,5-trimethoxyphenyl)methanone.
Chemical Property Profile of VGDEDKUKP2
Property Insights of VGDEDKUKP2
The XLogP value of 6.0308 indicates that VGDEDKUKP2 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 VGDEDKUKP2. Following Lipinski's Rule of Five, VGDEDKUKP2 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 VGDEDKUKP2?
The CAS number of VGDEDKUKP2 is 191672-52-3.
What is the molecular formula of VGDEDKUKP2?
The molecular formula of VGDEDKUKP2 is C34H38Cl2N2O6S.
What is the molecular weight of VGDEDKUKP2?
The molecular weight of VGDEDKUKP2 is 672.18 g/mol.
Where can I buy VGDEDKUKP2?
You can request a quote for VGDEDKUKP2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VGDEDKUKP2?
Yes, KEHONG BIO provides custom synthesis services for VGDEDKUKP2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.