ChemDiv3_007931
TL;DR: ChemDiv3_007931 (CAS 537668-77-2) is a chemical compound with molecular formula C24H18N4O2S and molecular weight 426.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-phenylacetamide
Also Known As: ChemDiv3_007931, IDI1_025841, 2-((4-oxo-3-phenyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-phenylacetamide, 2-({4-oxo-3-phenyl-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-phenylacetamide, 2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-phenylacetamide
| Molecular Formula | C24H18N4O2S |
|---|---|
| Molecular Weight | 426.12 g/mol |
| LogP | 4.5978 |
| Topological Polar Surface Area | 79.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.11505 |
| Heavy Atoms | 31 |
| Complexity | 1443.0088 |
Chemical Identifiers
| CAS Number | 537668-77-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4)NC5=CC=CC=C53 |
Product Overview
ChemDiv3_007931 (CAS 537668-77-2), with molecular formula C24H18N4O2S and molecular weight 426.12 g/mol. IUPAC: 2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-phenylacetamide.
Chemical Property Profile of ChemDiv3_007931
Property Insights of ChemDiv3_007931
The XLogP value of 4.5978 indicates that ChemDiv3_007931 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.78 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_007931. Following Lipinski's Rule of Five, ChemDiv3_007931 has 2 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_007931?
The CAS number of ChemDiv3_007931 is 537668-77-2.
What is the molecular formula of ChemDiv3_007931?
The molecular formula of ChemDiv3_007931 is C24H18N4O2S.
What is the molecular weight of ChemDiv3_007931?
The molecular weight of ChemDiv3_007931 is 426.12 g/mol.
Where can I buy ChemDiv3_007931?
You can request a quote for ChemDiv3_007931 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_007931?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_007931 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.