ChemDiv3_006098
TL;DR: ChemDiv3_006098 (CAS 620104-69-0) is a chemical compound with molecular formula C23H15N3O4S and molecular weight 429.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(benzenesulfonyl)-3-(4-oxo-2-phenoxypyrido[1,2-a]pyrimidin-3-yl)prop-2-enenitrile
Also Known As: ChemDiv3_006098, IDI1_024008, BRD-K67489351-001-01-3, (E)-2-(benzenesulfonyl)-3-(4-oxo-2-phenoxypyrido[1,2-a]pyrimidin-3-yl)prop-2-enenitrile, (E)-3-(4-oxo-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-(phenylsulfonyl)acrylonitrile
| Molecular Formula | C23H15N3O4S |
|---|---|
| Molecular Weight | 429.08 g/mol |
| LogP | 3.82518 |
| Topological Polar Surface Area | 101.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.07834 |
| Heavy Atoms | 31 |
| Complexity | 1487.1353 |
Chemical Identifiers
| CAS Number | 620104-69-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=C(C(=O)N3C=CC=CC3=N2)/C=C(\C#N)/S(=O)(=O)C4=CC=CC=C4 |
Product Overview
ChemDiv3_006098 (CAS 620104-69-0), with molecular formula C23H15N3O4S and molecular weight 429.08 g/mol. IUPAC: (E)-2-(benzenesulfonyl)-3-(4-oxo-2-phenoxypyrido[1,2-a]pyrimidin-3-yl)prop-2-enenitrile.
Chemical Property Profile of ChemDiv3_006098
Property Insights of ChemDiv3_006098
The XLogP value of 3.82518 indicates that ChemDiv3_006098 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.53 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_006098. Following Lipinski's Rule of Five, ChemDiv3_006098 has 0 hydrogen bond donor(s) and 6 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 ChemDiv3_006098?
The CAS number of ChemDiv3_006098 is 620104-69-0.
What is the molecular formula of ChemDiv3_006098?
The molecular formula of ChemDiv3_006098 is C23H15N3O4S.
What is the molecular weight of ChemDiv3_006098?
The molecular weight of ChemDiv3_006098 is 429.08 g/mol.
Where can I buy ChemDiv3_006098?
You can request a quote for ChemDiv3_006098 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_006098?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_006098 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.