6,6-Dimethyl-2-phenyl-5,8-dihydro-6H-3,7-dioxa-9-thia-1-aza-fluoren-4-one
TL;DR: 6,6-Dimethyl-2-phenyl-5,8-dihydro-6H-3,7-dioxa-9-thia-1-aza-fluoren-4-one (CAS 313702-67-9) is a chemical compound with molecular formula C17H15NO3S and molecular weight 313.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12,12-dimethyl-5-phenyl-4,11-dioxa-8-thia-6-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: ChemDiv1_003166, MixCom6_002136, BAS 01321541, BIM-0040244.P001, 6,6-Dimethyl-2-phenyl-5,8-dihydro-6H-3,7-dioxa-9-thia-1-aza-fluoren-4-one
| Molecular Formula | C17H15NO3S |
|---|---|
| Molecular Weight | 313.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 313.07727 |
| Heavy Atoms | 22 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 313702-67-9 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)OC(=N3)C4=CC=CC=C4)C |
| InChIKey | QTXAPIBAMSVSCD-UHFFFAOYSA-N |
Product Overview
6,6-Dimethyl-2-phenyl-5,8-dihydro-6H-3,7-dioxa-9-thia-1-aza-fluoren-4-one (CAS 313702-67-9), with molecular formula C17H15NO3S and molecular weight 313.08 g/mol. IUPAC: 12,12-dimethyl-5-phenyl-4,11-dioxa-8-thia-6-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of 6,6-Dimethyl-2-phenyl-5,8-dihydro-6H-3,7-dioxa-9-thia-1-aza-fluoren-4-one
Property Insights of 6,6-Dimethyl-2-phenyl-5,8-dihydro-6H-3,7-dioxa-9-thia-1-aza-fluoren-4-one
The XLogP value of 3.3 indicates that 6,6-Dimethyl-2-phenyl-5,8-dihydro-6H-3,7-dioxa-9-thia-1-aza-fluoren-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,6-Dimethyl-2-phenyl-5,8-dihydro-6H-3,7-dioxa-9-thia-1-aza-fluoren-4-one. Following Lipinski's Rule of Five, 6,6-Dimethyl-2-phenyl-5,8-dihydro-6H-3,7-dioxa-9-thia-1-aza-fluoren-4-one 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 6,6-Dimethyl-2-phenyl-5,8-dihydro-6H-3,7-dioxa-9-thia-1-aza-fluoren-4-one?
The CAS number of 6,6-Dimethyl-2-phenyl-5,8-dihydro-6H-3,7-dioxa-9-thia-1-aza-fluoren-4-one is 313702-67-9.
What is the molecular formula of 6,6-Dimethyl-2-phenyl-5,8-dihydro-6H-3,7-dioxa-9-thia-1-aza-fluoren-4-one?
The molecular formula of 6,6-Dimethyl-2-phenyl-5,8-dihydro-6H-3,7-dioxa-9-thia-1-aza-fluoren-4-one is C17H15NO3S.
What is the molecular weight of 6,6-Dimethyl-2-phenyl-5,8-dihydro-6H-3,7-dioxa-9-thia-1-aza-fluoren-4-one?
The molecular weight of 6,6-Dimethyl-2-phenyl-5,8-dihydro-6H-3,7-dioxa-9-thia-1-aza-fluoren-4-one is 313.08 g/mol.
Where can I buy 6,6-Dimethyl-2-phenyl-5,8-dihydro-6H-3,7-dioxa-9-thia-1-aza-fluoren-4-one?
You can request a quote for 6,6-Dimethyl-2-phenyl-5,8-dihydro-6H-3,7-dioxa-9-thia-1-aza-fluoren-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,6-Dimethyl-2-phenyl-5,8-dihydro-6H-3,7-dioxa-9-thia-1-aza-fluoren-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6,6-Dimethyl-2-phenyl-5,8-dihydro-6H-3,7-dioxa-9-thia-1-aza-fluoren-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.