ChemDiv2_004567
TL;DR: ChemDiv2_004567 (CAS 374922-80-2) is a chemical compound with molecular formula C22H22N4O3S2 and molecular weight 454.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-ethyl-7,12-dimethyl-3-phenacylsulfanyl-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one
Also Known As: ChemDiv2_004567, IDI1_003282, 7-ethyl-4,7-dimethyl-1-((2-oxo-2-phenylethyl)thio)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one, 7-ethyl-4,7-dimethyl-1-[(2-oxo-2-phenylethyl)sulfanyl]-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one, 7-ethyl-4,7-dimethyl-1-[(2-oxo-2-phenylethyl)thio]-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
| Molecular Formula | C22H22N4O3S2 |
|---|---|
| Molecular Weight | 454.11 g/mol |
| LogP | 3.8591 |
| Topological Polar Surface Area | 78.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.11334 |
| Heavy Atoms | 31 |
| Complexity | 1372.6748 |
Chemical Identifiers
| CAS Number | 374922-80-2 |
|---|---|
| SMILES | CCC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC(=O)C5=CC=CC=C5)C)C |
Product Overview
ChemDiv2_004567 (CAS 374922-80-2), with molecular formula C22H22N4O3S2 and molecular weight 454.11 g/mol. IUPAC: 12-ethyl-7,12-dimethyl-3-phenacylsulfanyl-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one.
Chemical Property Profile of ChemDiv2_004567
Property Insights of ChemDiv2_004567
The XLogP value of 3.8591 indicates that ChemDiv2_004567 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.49 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004567. Following Lipinski's Rule of Five, ChemDiv2_004567 has 0 hydrogen bond donor(s) and 7 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_004567?
The CAS number of ChemDiv2_004567 is 374922-80-2.
What is the molecular formula of ChemDiv2_004567?
The molecular formula of ChemDiv2_004567 is C22H22N4O3S2.
What is the molecular weight of ChemDiv2_004567?
The molecular weight of ChemDiv2_004567 is 454.11 g/mol.
Where can I buy ChemDiv2_004567?
You can request a quote for ChemDiv2_004567 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004567?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004567 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.