CCG 63808
TL;DR: CCG 63808 (CAS 620113-73-7) is a chemical compound with molecular formula C25H15FN4O2S and molecular weight 454.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-3-[2-(4-fluorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Also Known As: CCG 63808, (E)-2-(Benzo[d]thiazol-2-yl)-3-(2-(4-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylonitrile, 2-(1,3-benzothiazol-2-yl)-3-[2-(4-fluorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile, alpha-[[2-(4-Fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene]-2-benzothiazoleacetonitrile
| Molecular Formula | C25H15FN4O2S |
|---|---|
| Molecular Weight | 454.09 g/mol |
| LogP | 5.6082 |
| Topological Polar Surface Area | 80.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.08997 |
| Heavy Atoms | 33 |
| Complexity | 1612.9701 |
Chemical Identifiers
| CAS Number | 620113-73-7 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C3=NC4=CC=CC=C4S3)OC5=CC=C(C=C5)F |
Product Overview
CCG 63808 (CAS 620113-73-7), with molecular formula C25H15FN4O2S and molecular weight 454.09 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-3-[2-(4-fluorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile.
Chemical Property Profile of CCG 63808
Property Insights of CCG 63808
The XLogP value of 5.6082 indicates that CCG 63808 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.28 Ų falls within the moderate polarity range, balancing permeability and solubility for CCG 63808. Following Lipinski's Rule of Five, CCG 63808 has 0 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 CCG 63808?
The CAS number of CCG 63808 is 620113-73-7.
What is the molecular formula of CCG 63808?
The molecular formula of CCG 63808 is C25H15FN4O2S.
What is the molecular weight of CCG 63808?
The molecular weight of CCG 63808 is 454.09 g/mol.
Where can I buy CCG 63808?
You can request a quote for CCG 63808 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CCG 63808?
Yes, KEHONG BIO provides custom synthesis services for CCG 63808 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.