A2169/0091118
TL;DR: A2169/0091118 (CAS 298686-64-3) is a chemical compound with molecular formula C18H24N4O3S and molecular weight 376.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-5-(3-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione
Also Known As: A2169/0091118, 2-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-5-(3-methoxyphenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-5-(3-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione, 1,2,4-Triazole-5(4H)-thione, 3-(3-methoxyphenyl)-4-methyl-1-(1,4,8-dioxaza[4.5]dec-8-ylmethyl)-, 1-({1,4-DIOXA-8-AZASPIRO[4.5]DECAN-8-YL}METHYL)-3-(3-METHOXYPHENYL)-4-METHYL-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-5-THIONE
| Molecular Formula | C18H24N4O3S |
|---|---|
| Molecular Weight | 376.16 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 81.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.15692 |
| Heavy Atoms | 26 |
| Complexity | 557.0 |
Chemical Identifiers
| CAS Number | 298686-64-3 |
|---|---|
| SMILES | CN1C(=NN(C1=S)CN2CCC3(CC2)OCCO3)C4=CC(=CC=C4)OC |
| InChIKey | DTYKBZSVKPPKMW-UHFFFAOYSA-N |
Product Overview
A2169/0091118 (CAS 298686-64-3), with molecular formula C18H24N4O3S and molecular weight 376.16 g/mol. IUPAC: 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-5-(3-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione.
Chemical Property Profile of A2169/0091118
Property Insights of A2169/0091118
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2169/0091118. The TPSA of 81.9 Ų falls within the moderate polarity range, balancing permeability and solubility for A2169/0091118. Following Lipinski's Rule of Five, A2169/0091118 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 A2169/0091118?
The CAS number of A2169/0091118 is 298686-64-3.
What is the molecular formula of A2169/0091118?
The molecular formula of A2169/0091118 is C18H24N4O3S.
What is the molecular weight of A2169/0091118?
The molecular weight of A2169/0091118 is 376.16 g/mol.
Where can I buy A2169/0091118?
You can request a quote for A2169/0091118 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2169/0091118?
Yes, KEHONG BIO provides custom synthesis services for A2169/0091118 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.