ChemDiv1_023769
TL;DR: ChemDiv1_023769 (CAS 166545-78-4) is a chemical compound with molecular formula C16H16N2O3S and molecular weight 316.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-ethyl-5,5-dimethyl-6,14-dioxa-17-thia-2,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-15-one
Also Known As: ChemDiv1_023769, BAS 02747760, 2-ethyl-8,8-dimethyl-7,8-dihydropyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d][1,3]oxazin-4(10H)-one, 2-ethyl-8,8-dimethyl-7,10-dihydro-4H,8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d][1,3]oxazin-4-one, 2-ethyl-8,8-dimethyl-7,8-dihydro-10H-pyrano[3'',4''-5',6']pyridino[3',2'-4,5]t hiopheno[3,2-d]1,3-oxazin-4-one
| Molecular Formula | C16H16N2O3S |
|---|---|
| Molecular Weight | 316.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 89.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.08817 |
| Heavy Atoms | 22 |
| Complexity | 522.0 |
Chemical Identifiers
| CAS Number | 166545-78-4 |
|---|---|
| SMILES | CCC1=NC2=C(C(=O)O1)SC3=C2C=C4COC(CC4=N3)(C)C |
| InChIKey | NRGIPUCUSSVURY-UHFFFAOYSA-N |
Product Overview
ChemDiv1_023769 (CAS 166545-78-4), with molecular formula C16H16N2O3S and molecular weight 316.09 g/mol. IUPAC: 13-ethyl-5,5-dimethyl-6,14-dioxa-17-thia-2,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-15-one.
Chemical Property Profile of ChemDiv1_023769
Property Insights of ChemDiv1_023769
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_023769. The TPSA of 89.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_023769. Following Lipinski's Rule of Five, ChemDiv1_023769 has 0 hydrogen bond donor(s) and 6 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 ChemDiv1_023769?
The CAS number of ChemDiv1_023769 is 166545-78-4.
What is the molecular formula of ChemDiv1_023769?
The molecular formula of ChemDiv1_023769 is C16H16N2O3S.
What is the molecular weight of ChemDiv1_023769?
The molecular weight of ChemDiv1_023769 is 316.09 g/mol.
Where can I buy ChemDiv1_023769?
You can request a quote for ChemDiv1_023769 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023769?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023769 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.