ChemDiv1_009484
TL;DR: ChemDiv1_009484 (CAS 308289-97-6) is a chemical compound with molecular formula C27H24N4O3S2 and molecular weight 516.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12,12-dimethyl-7-(4-methylphenyl)-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: ChemDiv1_009484, BAS 01580067, 7,7-dimethyl-1-((2-oxo-2-phenylethyl)thio)-4-(p-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one, 7,7-dimethyl-4-(4-methylphenyl)-1-(2-oxo-2-phenylethylthio)-4,6,7,11-tetrahydr o-9H-1,2,4-triazolo[4'',3''-2',1']pyrimidino[5',6'-5,4]thiopheno[2,3-c]pyran-5 -one, 7,7-dimethyl-4-(4-methylphenyl)-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
| Molecular Formula | C27H24N4O3S2 |
|---|---|
| Molecular Weight | 516.13 g/mol |
| LogP | 5.22962 |
| Topological Polar Surface Area | 78.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 516.12897 |
| Heavy Atoms | 36 |
| Complexity | 1682.1594 |
Chemical Identifiers
| CAS Number | 308289-97-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCC(=O)C5=CC=CC=C5)SC6=C3CC(OC6)(C)C |
Product Overview
ChemDiv1_009484 (CAS 308289-97-6), with molecular formula C27H24N4O3S2 and molecular weight 516.13 g/mol. IUPAC: 12,12-dimethyl-7-(4-methylphenyl)-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 ChemDiv1_009484
Property Insights of ChemDiv1_009484
The XLogP value of 5.22962 indicates that ChemDiv1_009484 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 ChemDiv1_009484. Following Lipinski's Rule of Five, ChemDiv1_009484 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_009484?
The CAS number of ChemDiv1_009484 is 308289-97-6.
What is the molecular formula of ChemDiv1_009484?
The molecular formula of ChemDiv1_009484 is C27H24N4O3S2.
What is the molecular weight of ChemDiv1_009484?
The molecular weight of ChemDiv1_009484 is 516.13 g/mol.
Where can I buy ChemDiv1_009484?
You can request a quote for ChemDiv1_009484 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009484?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009484 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.