ChemDiv1_006790
TL;DR: ChemDiv1_006790 (CAS 380563-62-2) is a chemical compound with molecular formula C20H19N5O2S2 and molecular weight 425.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[7-(2-methylphenyl)-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]acetamide
Also Known As: ChemDiv1_006790, AB00105566-01, AJ-292/41342281, 2-{[4-(2-methylphenyl)-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}acetamide, 2-((5-oxo-4-(o-tolyl)-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide
| Molecular Formula | C20H19N5O2S2 |
|---|---|
| Molecular Weight | 425.10 g/mol |
| LogP | 2.85952 |
| Topological Polar Surface Area | 95.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.09802 |
| Heavy Atoms | 29 |
| Complexity | 1334.3854 |
Chemical Identifiers
| CAS Number | 380563-62-2 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=O)C3=C(N4C2=NN=C4SCC(=O)N)SC5=C3CCCC5 |
Product Overview
ChemDiv1_006790 (CAS 380563-62-2), with molecular formula C20H19N5O2S2 and molecular weight 425.10 g/mol. IUPAC: 2-[[7-(2-methylphenyl)-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]acetamide.
Chemical Property Profile of ChemDiv1_006790
Property Insights of ChemDiv1_006790
The XLogP value of 2.85952 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_006790. The TPSA of 95.28 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_006790. Following Lipinski's Rule of Five, ChemDiv1_006790 has 1 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 ChemDiv1_006790?
The CAS number of ChemDiv1_006790 is 380563-62-2.
What is the molecular formula of ChemDiv1_006790?
The molecular formula of ChemDiv1_006790 is C20H19N5O2S2.
What is the molecular weight of ChemDiv1_006790?
The molecular weight of ChemDiv1_006790 is 425.10 g/mol.
Where can I buy ChemDiv1_006790?
You can request a quote for ChemDiv1_006790 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006790?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006790 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.