MixCom6_002125
TL;DR: MixCom6_002125 (CAS 332393-01-8) is a chemical compound with molecular formula C19H18N4O2S2 and molecular weight 398.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-methoxyphenyl)-3-methylsulfanyl-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: MixCom6_002125, BAS 01579877, BIM-0040176.P001, 4-(4-methoxyphenyl)-1-(methylthio)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one, 4-(4-methoxyphenyl)-1-(methylsulfanyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
| Molecular Formula | C19H18N4O2S2 |
|---|---|
| Molecular Weight | 398.09 g/mol |
| LogP | 3.7042 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 398.08713 |
| Heavy Atoms | 27 |
| Complexity | 1220.9375 |
Chemical Identifiers
| CAS Number | 332393-01-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SC)SC5=C3CCCC5 |
Product Overview
MixCom6_002125 (CAS 332393-01-8), with molecular formula C19H18N4O2S2 and molecular weight 398.09 g/mol. IUPAC: 7-(4-methoxyphenyl)-3-methylsulfanyl-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 MixCom6_002125
Property Insights of MixCom6_002125
The XLogP value of 3.7042 indicates that MixCom6_002125 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.42 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom6_002125. Following Lipinski's Rule of Five, MixCom6_002125 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 MixCom6_002125?
The CAS number of MixCom6_002125 is 332393-01-8.
What is the molecular formula of MixCom6_002125?
The molecular formula of MixCom6_002125 is C19H18N4O2S2.
What is the molecular weight of MixCom6_002125?
The molecular weight of MixCom6_002125 is 398.09 g/mol.
Where can I buy MixCom6_002125?
You can request a quote for MixCom6_002125 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_002125?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_002125 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.