ChemDiv3_004689
TL;DR: ChemDiv3_004689 (CAS 375350-52-0) is a chemical compound with molecular formula C17H14N4O2S2 and molecular weight 370.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-methoxyphenyl)-3-sulfanylidene-15-thia-2,4,5,7-tetrazatetracyclo[7.6.0.02,6.010,14]pentadeca-1(9),5,10(14)-trien-8-one
Also Known As: ChemDiv3_004689, IDI1_022599, BAS 05512835, 4-(2-methoxyphenyl)-1-sulfanyl-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one, AJ-292/41342430
| Molecular Formula | C17H14N4O2S2 |
|---|---|
| Molecular Weight | 370.06 g/mol |
| LogP | 3.25479 |
| Topological Polar Surface Area | 64.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 370.05582 |
| Heavy Atoms | 25 |
| Complexity | 1261.6003 |
Chemical Identifiers
| CAS Number | 375350-52-0 |
|---|---|
| SMILES | COC1=CC=CC=C1N2C(=O)C3=C(N4C2=NNC4=S)SC5=C3CCC5 |
Product Overview
ChemDiv3_004689 (CAS 375350-52-0), with molecular formula C17H14N4O2S2 and molecular weight 370.06 g/mol. IUPAC: 7-(2-methoxyphenyl)-3-sulfanylidene-15-thia-2,4,5,7-tetrazatetracyclo[7.6.0.02,6.010,14]pentadeca-1(9),5,10(14)-trien-8-one.
Chemical Property Profile of ChemDiv3_004689
Property Insights of ChemDiv3_004689
The XLogP value of 3.25479 indicates that ChemDiv3_004689 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.32 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004689. Following Lipinski's Rule of Five, ChemDiv3_004689 has 1 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 ChemDiv3_004689?
The CAS number of ChemDiv3_004689 is 375350-52-0.
What is the molecular formula of ChemDiv3_004689?
The molecular formula of ChemDiv3_004689 is C17H14N4O2S2.
What is the molecular weight of ChemDiv3_004689?
The molecular weight of ChemDiv3_004689 is 370.06 g/mol.
Where can I buy ChemDiv3_004689?
You can request a quote for ChemDiv3_004689 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004689?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004689 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.