ChemDiv2_005815
TL;DR: ChemDiv2_005815 (CAS 536706-28-2) is a chemical compound with molecular formula C25H26N4O3S and molecular weight 462.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: ChemDiv2_005815, IDI1_004530, AB00684528-01, F0580-0381, 3-(3-methoxyphenyl)-2-((2-(4-methylpiperidin-1-yl)-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one
| Molecular Formula | C25H26N4O3S |
|---|---|
| Molecular Weight | 462.17 g/mol |
| LogP | 4.2262 |
| Topological Polar Surface Area | 80.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.17258 |
| Heavy Atoms | 33 |
| Complexity | 1385.6926 |
Chemical Identifiers
| CAS Number | 536706-28-2 |
|---|---|
| SMILES | CC1CCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2C4=CC(=CC=C4)OC)NC5=CC=CC=C53 |
Product Overview
ChemDiv2_005815 (CAS 536706-28-2), with molecular formula C25H26N4O3S and molecular weight 462.17 g/mol. IUPAC: 3-(3-methoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of ChemDiv2_005815
Property Insights of ChemDiv2_005815
The XLogP value of 4.2262 indicates that ChemDiv2_005815 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_005815. Following Lipinski's Rule of Five, ChemDiv2_005815 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_005815?
The CAS number of ChemDiv2_005815 is 536706-28-2.
What is the molecular formula of ChemDiv2_005815?
The molecular formula of ChemDiv2_005815 is C25H26N4O3S.
What is the molecular weight of ChemDiv2_005815?
The molecular weight of ChemDiv2_005815 is 462.17 g/mol.
Where can I buy ChemDiv2_005815?
You can request a quote for ChemDiv2_005815 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_005815?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_005815 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.