MixCom6_002058
TL;DR: MixCom6_002058 (CAS 351385-44-9) is a chemical compound with molecular formula C21H20N4O4S2 and molecular weight 456.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[7-(4-methoxyphenyl)-8-oxo-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]sulfanyl]acetate
Also Known As: MixCom6_002058, BIM-0040250.P001, methyl 2-((4-(4-methoxyphenyl)-5-oxo-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetate, methyl {[4-(4-methoxyphenyl)-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetate, METHYL 2-{[4-(4-METHOXYPHENYL)-5-OXO-4,5,6,7,8,9-HEXAHYDRO[1]BENZOTHIENO[3,2-E][1,2,4]TRIAZOLO[4,3-A]PYRIMIDIN-1-YL]SULFANYL}ACETATE
| Molecular Formula | C21H20N4O4S2 |
|---|---|
| Molecular Weight | 456.09 g/mol |
| LogP | 3.2474 |
| Topological Polar Surface Area | 87.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.0926 |
| Heavy Atoms | 31 |
| Complexity | 1354.2161 |
Chemical Identifiers
| CAS Number | 351385-44-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCC(=O)OC)SC5=C3CCCC5 |
Product Overview
MixCom6_002058 (CAS 351385-44-9), with molecular formula C21H20N4O4S2 and molecular weight 456.09 g/mol. IUPAC: methyl 2-[[7-(4-methoxyphenyl)-8-oxo-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]sulfanyl]acetate.
Chemical Property Profile of MixCom6_002058
Property Insights of MixCom6_002058
The XLogP value of 3.2474 indicates that MixCom6_002058 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.72 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom6_002058. Following Lipinski's Rule of Five, MixCom6_002058 has 0 hydrogen bond donor(s) and 8 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_002058?
The CAS number of MixCom6_002058 is 351385-44-9.
What is the molecular formula of MixCom6_002058?
The molecular formula of MixCom6_002058 is C21H20N4O4S2.
What is the molecular weight of MixCom6_002058?
The molecular weight of MixCom6_002058 is 456.09 g/mol.
Where can I buy MixCom6_002058?
You can request a quote for MixCom6_002058 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_002058?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_002058 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.