ChemDiv2_005771
TL;DR: ChemDiv2_005771 (CAS 537668-68-1) is a chemical compound with molecular formula C25H25N5O4S and molecular weight 491.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetyl]piperazine-1-carboxylate
Also Known As: ChemDiv2_005771, IDI1_004486, ethyl 4-[2-({4-oxo-3-phenyl-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetyl]piperazine-1-carboxylate, F0580-0103, ethyl 4-[2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetyl]piperazine-1-carboxylate
| Molecular Formula | C25H25N5O4S |
|---|---|
| Molecular Weight | 491.16 g/mol |
| LogP | 3.2598 |
| Topological Polar Surface Area | 100.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 491.16272 |
| Heavy Atoms | 35 |
| Complexity | 1441.0492 |
Chemical Identifiers
| CAS Number | 537668-68-1 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4)NC5=CC=CC=C53 |
Product Overview
ChemDiv2_005771 (CAS 537668-68-1), with molecular formula C25H25N5O4S and molecular weight 491.16 g/mol. IUPAC: ethyl 4-[2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetyl]piperazine-1-carboxylate.
Chemical Property Profile of ChemDiv2_005771
Property Insights of ChemDiv2_005771
The XLogP value of 3.2598 indicates that ChemDiv2_005771 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.53 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_005771. Following Lipinski's Rule of Five, ChemDiv2_005771 has 1 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 ChemDiv2_005771?
The CAS number of ChemDiv2_005771 is 537668-68-1.
What is the molecular formula of ChemDiv2_005771?
The molecular formula of ChemDiv2_005771 is C25H25N5O4S.
What is the molecular weight of ChemDiv2_005771?
The molecular weight of ChemDiv2_005771 is 491.16 g/mol.
Where can I buy ChemDiv2_005771?
You can request a quote for ChemDiv2_005771 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_005771?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_005771 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.