Timcodar
TL;DR: Timcodar (CAS 179033-68-2) is a chemical compound with molecular formula C43H45ClN4O6 and molecular weight 748.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-benzyl-3-(4-chlorophenyl)-N-(1,5-dipyridin-4-ylpentan-3-yl)-2-[methyl-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]amino]propanamide
Also Known As: Timcodar, timcodarum, Timcodar [INN], VX853 cpd, TIMCODAR [WHO-DD]
| Molecular Formula | C43H45ClN4O6 |
|---|---|
| Molecular Weight | 748.30 g/mol |
| LogP | 7.0712 |
| Topological Polar Surface Area | 111.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 18 |
| Exact Mass | 748.30273 |
| Heavy Atoms | 54 |
| Complexity | 1912.193 |
Chemical Identifiers
| CAS Number | 179033-68-2 |
|---|---|
| SMILES | CN([C@@H](CC1=CC=C(C=C1)Cl)C(=O)N(CC2=CC=CC=C2)C(CCC3=CC=NC=C3)CCC4=CC=NC=C4)C(=O)C(=O)C5=CC(=C(C(=C5)OC)OC)OC |
Product Overview
Timcodar (CAS 179033-68-2), with molecular formula C43H45ClN4O6 and molecular weight 748.30 g/mol. IUPAC: (2S)-N-benzyl-3-(4-chlorophenyl)-N-(1,5-dipyridin-4-ylpentan-3-yl)-2-[methyl-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]amino]propanamide.
Chemical Property Profile of Timcodar
Property Insights of Timcodar
The XLogP value of 7.0712 indicates that Timcodar is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.16 Ų falls within the moderate polarity range, balancing permeability and solubility for Timcodar. Following Lipinski's Rule of Five, Timcodar has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Timcodar?
The CAS number of Timcodar is 179033-68-2.
What is the molecular formula of Timcodar?
The molecular formula of Timcodar is C43H45ClN4O6.
What is the molecular weight of Timcodar?
The molecular weight of Timcodar is 748.30 g/mol.
Where can I buy Timcodar?
You can request a quote for Timcodar directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Timcodar?
Yes, KEHONG BIO provides custom synthesis services for Timcodar and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.