ChemDiv3_006180
TL;DR: ChemDiv3_006180 (CAS 496798-44-8) is a chemical compound with molecular formula C21H22N4O2S3 and molecular weight 458.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-methoxyphenyl)methylsulfanyl]-14,14-dimethyl-7-methylsulfanyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Also Known As: ChemDiv3_006180, IDI1_024090, BRD-K73324324-001-01-8, 3-[(4-methoxybenzyl)sulfanyl]-10,10-dimethyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine, 3-((4-methoxybenzyl)thio)-10,10-dimethyl-5-(methylthio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
| Molecular Formula | C21H22N4O2S3 |
|---|---|
| Molecular Weight | 458.09 g/mol |
| LogP | 5.2131 |
| Topological Polar Surface Area | 61.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.09048 |
| Heavy Atoms | 30 |
| Complexity | 1230.9891 |
Chemical Identifiers
| CAS Number | 496798-44-8 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C4=NN=C(N4C(=N3)SC)SCC5=CC=C(C=C5)OC)C |
Product Overview
ChemDiv3_006180 (CAS 496798-44-8), with molecular formula C21H22N4O2S3 and molecular weight 458.09 g/mol. IUPAC: 5-[(4-methoxyphenyl)methylsulfanyl]-14,14-dimethyl-7-methylsulfanyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
Chemical Property Profile of ChemDiv3_006180
Property Insights of ChemDiv3_006180
The XLogP value of 5.2131 indicates that ChemDiv3_006180 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.54 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_006180. Following Lipinski's Rule of Five, ChemDiv3_006180 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_006180?
The CAS number of ChemDiv3_006180 is 496798-44-8.
What is the molecular formula of ChemDiv3_006180?
The molecular formula of ChemDiv3_006180 is C21H22N4O2S3.
What is the molecular weight of ChemDiv3_006180?
The molecular weight of ChemDiv3_006180 is 458.09 g/mol.
Where can I buy ChemDiv3_006180?
You can request a quote for ChemDiv3_006180 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_006180?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_006180 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.