RefChem:308972
TL;DR: RefChem:308972 (CAS 67668-14-8) is a chemical compound with molecular formula C15H10O2S3 and molecular weight 317.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-methyl-4-phenyl-11-oxa-5,6λ4,7-trithiatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9-tetraen-12-one
Also Known As: 6-methyl-phenyl-[?]-2-one, NCI60_002431, 6-Methyl-2-phenyl-4H-9lambda(4)-(1,2)dithiolo(5',1':5,1)(1,2)dithiolo(4,3-c)pyran-4-one, 10-methyl-4-phenyl-11-oxa-5,6lambda4,7-trithiatricyclo[6.4.0.0{2,6}]dodeca-1(8),2(6),3,9-tetraen-12-one, 4H-9lambda4-[1,2]Dithiolo[1',5':1,5][1,2]dithiolo[4,3-c]pyran-4-one, 6-methyl-2-phenyl-
| Molecular Formula | C15H10O2S3 |
|---|---|
| Molecular Weight | 317.98 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 96.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 317.98428 |
| Heavy Atoms | 20 |
| Complexity | 619.0 |
Chemical Identifiers
| CAS Number | 67668-14-8 |
|---|---|
| SMILES | CC1=CC2=C(C3=S(S2)SC(=C3)C4=CC=CC=C4)C(=O)O1 |
| InChIKey | XQXVZLATYFMXSP-UHFFFAOYSA-N |
Product Overview
RefChem:308972 (CAS 67668-14-8), with molecular formula C15H10O2S3 and molecular weight 317.98 g/mol. IUPAC: 10-methyl-4-phenyl-11-oxa-5,6λ4,7-trithiatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9-tetraen-12-one.
Chemical Property Profile of RefChem:308972
Property Insights of RefChem:308972
The XLogP value of 3.5 indicates that RefChem:308972 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:308972. Following Lipinski's Rule of Five, RefChem:308972 has 0 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 RefChem:308972?
The CAS number of RefChem:308972 is 67668-14-8.
What is the molecular formula of RefChem:308972?
The molecular formula of RefChem:308972 is C15H10O2S3.
What is the molecular weight of RefChem:308972?
The molecular weight of RefChem:308972 is 317.98 g/mol.
Where can I buy RefChem:308972?
You can request a quote for RefChem:308972 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:308972?
Yes, KEHONG BIO provides custom synthesis services for RefChem:308972 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.