ChemDiv1_027250
TL;DR: ChemDiv1_027250 (CAS 300730-49-8) is a chemical compound with molecular formula C18H16N4O2S and molecular weight 352.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12,12-dimethyl-7-phenyl-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_027250, BAS 00338304, AE-848/31942009, 7,7-dimethyl-4-phenyl-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one, A0690/0032162
| Molecular Formula | C18H16N4O2S |
|---|---|
| Molecular Weight | 352.10 g/mol |
| LogP | 2.9462 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 352.0994 |
| Heavy Atoms | 25 |
| Complexity | 1170.6934 |
Chemical Identifiers
| CAS Number | 300730-49-8 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=CN34)C5=CC=CC=C5)C |
Product Overview
ChemDiv1_027250 (CAS 300730-49-8), with molecular formula C18H16N4O2S and molecular weight 352.10 g/mol. IUPAC: 12,12-dimethyl-7-phenyl-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_027250
Property Insights of ChemDiv1_027250
The XLogP value of 2.9462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_027250. The TPSA of 61.42 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_027250. Following Lipinski's Rule of Five, ChemDiv1_027250 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 ChemDiv1_027250?
The CAS number of ChemDiv1_027250 is 300730-49-8.
What is the molecular formula of ChemDiv1_027250?
The molecular formula of ChemDiv1_027250 is C18H16N4O2S.
What is the molecular weight of ChemDiv1_027250?
The molecular weight of ChemDiv1_027250 is 352.10 g/mol.
Where can I buy ChemDiv1_027250?
You can request a quote for ChemDiv1_027250 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_027250?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_027250 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.