CDS1_003460
TL;DR: CDS1_003460 (CAS 5143-59-9) is a chemical compound with molecular formula C25H25ClN3O5P and molecular weight 513.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(Z)-3-[(5-chloro-2-pyridinyl)amino]-1-diethoxyphosphoryl-3-oxo-1-phenylprop-1-en-2-yl]benzamide
Also Known As: CDS1_003460, Diethyl 2-[2-benzamido-2-(5-chloro-2-pyridylcarbamoyl)-1-phenyl]vinylphosphonate, (2Z)-3-(diethoxycarbonyl)-N-(5-chloro(2-pyridyl))-3-phenyl-2-(phenylcarbonylam ino)prop-2-enamide, Diethyl (1Z)-2-(benzoylamino)-3-[(5-chloro-2-pyridinyl)amino]-3-oxo-1-phenyl-1-propenylphosphonate #, Diethyl {(1Z)-2-benzamido-3-[(5-chloropyridin-2-yl)amino]-3-oxo-1-phenylprop-1-en-1-yl}phosphonate
| Molecular Formula | C25H25ClN3O5P |
|---|---|
| Molecular Weight | 513.12 g/mol |
| LogP | 5.7384 |
| Topological Polar Surface Area | 106.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 513.122 |
| Heavy Atoms | 35 |
| Complexity | 1224.9767 |
Chemical Identifiers
| CAS Number | 5143-59-9 |
|---|---|
| SMILES | CCOP(=O)(/C(=C(/C(=O)NC1=NC=C(C=C1)Cl)\NC(=O)C2=CC=CC=C2)/C3=CC=CC=C3)OCC |
Product Overview
CDS1_003460 (CAS 5143-59-9), with molecular formula C25H25ClN3O5P and molecular weight 513.12 g/mol. IUPAC: N-[(Z)-3-[(5-chloro-2-pyridinyl)amino]-1-diethoxyphosphoryl-3-oxo-1-phenylprop-1-en-2-yl]benzamide.
Chemical Property Profile of CDS1_003460
Property Insights of CDS1_003460
The XLogP value of 5.7384 indicates that CDS1_003460 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.62 Ų falls within the moderate polarity range, balancing permeability and solubility for CDS1_003460. Following Lipinski's Rule of Five, CDS1_003460 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CDS1_003460?
The CAS number of CDS1_003460 is 5143-59-9.
What is the molecular formula of CDS1_003460?
The molecular formula of CDS1_003460 is C25H25ClN3O5P.
What is the molecular weight of CDS1_003460?
The molecular weight of CDS1_003460 is 513.12 g/mol.
Where can I buy CDS1_003460?
You can request a quote for CDS1_003460 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CDS1_003460?
Yes, KEHONG BIO provides custom synthesis services for CDS1_003460 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.