ChemDiv3_007887
TL;DR: ChemDiv3_007887 (CAS 537668-65-8) is a chemical compound with molecular formula C25H26N4O2S and molecular weight 446.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-phenyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: ChemDiv3_007887, IDI1_025797, 2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-phenyl-3H,4H,5H-pyrimido[5,4-b]indol-4-one, BRD-A46369255-001-01-2, F0580-0100
| Molecular Formula | C25H26N4O2S |
|---|---|
| Molecular Weight | 446.18 g/mol |
| LogP | 4.7502 |
| Topological Polar Surface Area | 70.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.17764 |
| Heavy Atoms | 32 |
| Complexity | 1328.5356 |
Chemical Identifiers
| CAS Number | 537668-65-8 |
|---|---|
| SMILES | CCC1CCCCN1C(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4)NC5=CC=CC=C53 |
Product Overview
ChemDiv3_007887 (CAS 537668-65-8), with molecular formula C25H26N4O2S and molecular weight 446.18 g/mol. IUPAC: 2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-phenyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of ChemDiv3_007887
Property Insights of ChemDiv3_007887
The XLogP value of 4.7502 indicates that ChemDiv3_007887 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.99 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_007887. Following Lipinski's Rule of Five, ChemDiv3_007887 has 1 hydrogen bond donor(s) and 4 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_007887?
The CAS number of ChemDiv3_007887 is 537668-65-8.
What is the molecular formula of ChemDiv3_007887?
The molecular formula of ChemDiv3_007887 is C25H26N4O2S.
What is the molecular weight of ChemDiv3_007887?
The molecular weight of ChemDiv3_007887 is 446.18 g/mol.
Where can I buy ChemDiv3_007887?
You can request a quote for ChemDiv3_007887 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_007887?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_007887 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.