DS003
TL;DR: DS003 (CAS 676489-50-2) is a chemical compound with molecular formula C27H22N6O3 and molecular weight 478.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[2-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetyl]piperidin-4-ylidene]-2-phenylacetonitrile
Also Known As: DS003, 2-[1-[2-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxo-acetyl]-4-piperidylidene]-2-phenyl-acetonitrile, 2-(1-(2-(4-Methoxy-7-(pyrazin-2-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetyl)piperidin-4-ylidene)-2-phenylacetonitrile, 2-[1-[2-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetyl]piperidin-4-ylidene]-2-phenylacetonitrile, alpha-[1-[2-[4-Methoxy-7-(2-pyrazinyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetyl]-4-piperidinylidene]benzeneacetonitrile
| Molecular Formula | C27H22N6O3 |
|---|---|
| Molecular Weight | 478.18 g/mol |
| LogP | 3.81098 |
| Topological Polar Surface Area | 124.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 478.17532 |
| Heavy Atoms | 36 |
| Complexity | 1509.9076 |
Chemical Identifiers
| CAS Number | 676489-50-2 |
|---|---|
| SMILES | COC1=CN=C(C2=C1C(=CN2)C(=O)C(=O)N3CCC(=C(C#N)C4=CC=CC=C4)CC3)C5=NC=CN=C5 |
Product Overview
DS003 (CAS 676489-50-2), with molecular formula C27H22N6O3 and molecular weight 478.18 g/mol. IUPAC: 2-[1-[2-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetyl]piperidin-4-ylidene]-2-phenylacetonitrile.
Chemical Property Profile of DS003
Property Insights of DS003
The XLogP value of 3.81098 indicates that DS003 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.86 Ų falls within the moderate polarity range, balancing permeability and solubility for DS003. Following Lipinski's Rule of Five, DS003 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DS003?
The CAS number of DS003 is 676489-50-2.
What is the molecular formula of DS003?
The molecular formula of DS003 is C27H22N6O3.
What is the molecular weight of DS003?
The molecular weight of DS003 is 478.18 g/mol.
Where can I buy DS003?
You can request a quote for DS003 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DS003?
Yes, KEHONG BIO provides custom synthesis services for DS003 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.