ChemDiv2_005903
TL;DR: ChemDiv2_005903 (CAS 536707-19-4) is a chemical compound with molecular formula C24H24N4O3S and molecular weight 448.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: ChemDiv2_005903, IDI1_004618, F0580-0472, 3-(4-methoxyphenyl)-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one, 3-(4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C24H24N4O3S |
|---|---|
| Molecular Weight | 448.16 g/mol |
| LogP | 3.9802 |
| Topological Polar Surface Area | 80.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.15692 |
| Heavy Atoms | 32 |
| Complexity | 1337.3729 |
Chemical Identifiers
| CAS Number | 536707-19-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)N5CCCCC5 |
Product Overview
ChemDiv2_005903 (CAS 536707-19-4), with molecular formula C24H24N4O3S and molecular weight 448.16 g/mol. IUPAC: 3-(4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of ChemDiv2_005903
Property Insights of ChemDiv2_005903
The XLogP value of 3.9802 indicates that ChemDiv2_005903 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_005903. Following Lipinski's Rule of Five, ChemDiv2_005903 has 1 hydrogen bond donor(s) and 5 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 ChemDiv2_005903?
The CAS number of ChemDiv2_005903 is 536707-19-4.
What is the molecular formula of ChemDiv2_005903?
The molecular formula of ChemDiv2_005903 is C24H24N4O3S.
What is the molecular weight of ChemDiv2_005903?
The molecular weight of ChemDiv2_005903 is 448.16 g/mol.
Where can I buy ChemDiv2_005903?
You can request a quote for ChemDiv2_005903 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_005903?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_005903 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.