ChemDiv1_006263
TL;DR: ChemDiv1_006263 (CAS 351005-32-8) is a chemical compound with molecular formula C22H22N4O4S2 and molecular weight 470.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[16-(4-methoxyphenyl)-17-oxo-9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.011,15]heptadeca-1(10),2(8),12,14-tetraen-12-yl]sulfanyl]acetate
Also Known As: ChemDiv1_006263, AJ-292/15365032, methyl {[4-(4-methoxyphenyl)-5-oxo-4,5,7,8,9,10-hexahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetate, methyl 2-((4-(4-methoxyphenyl)-5-oxo-5,6,7,8,9,10-hexahydro-4H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetate, methyl 2-[2-(4-methoxyphenyl)-1-oxo-2,6,8,9,10,11,12-heptahydrocyclohepta[1,2- d]1,2,4-triazolo[3',4'-2,3]pyrimidino[4,5-b]thiophen-5-ylthio]acetate
| Molecular Formula | C22H22N4O4S2 |
|---|---|
| Molecular Weight | 470.11 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 470.10825 |
| Heavy Atoms | 32 |
| Complexity | 707.0 |
Chemical Identifiers
| CAS Number | 351005-32-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCC(=O)OC)SC5=C3CCCCC5 |
| InChIKey | WAGKDZAKZRWBPJ-UHFFFAOYSA-N |
Product Overview
ChemDiv1_006263 (CAS 351005-32-8), with molecular formula C22H22N4O4S2 and molecular weight 470.11 g/mol. IUPAC: methyl 2-[[16-(4-methoxyphenyl)-17-oxo-9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.011,15]heptadeca-1(10),2(8),12,14-tetraen-12-yl]sulfanyl]acetate.
Chemical Property Profile of ChemDiv1_006263
Property Insights of ChemDiv1_006263
The XLogP value of 4.6 indicates that ChemDiv1_006263 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting ChemDiv1_006263 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_006263 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 ChemDiv1_006263?
The CAS number of ChemDiv1_006263 is 351005-32-8.
What is the molecular formula of ChemDiv1_006263?
The molecular formula of ChemDiv1_006263 is C22H22N4O4S2.
What is the molecular weight of ChemDiv1_006263?
The molecular weight of ChemDiv1_006263 is 470.11 g/mol.
Where can I buy ChemDiv1_006263?
You can request a quote for ChemDiv1_006263 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006263?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006263 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.