![N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide structure](/static/products/6944/694466-52-9.webp)
N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
TL;DR: N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide (CAS 694466-52-9) is a chemical compound with molecular formula C23H21N7O2S2 and molecular weight 491.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Also Known As: N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide, 2-({5-ISOPROPYL-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL}SULFANYL)-N-[5-(PHENOXYMETHYL)-1,3,4-THIADIAZOL-2-YL]ACETAMIDE, 2-[(5-ISOPROPYL-5H-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL)SULFANYL]-N~1~-[5-(PHENOXYMETHYL)-1,3,4-THIADIAZOL-2-YL]ACETAMIDE, N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
| Molecular Formula | C23H21N7O2S2 |
|---|---|
| Molecular Weight | 491.12 g/mol |
| LogP | 4.7217 |
| Topological Polar Surface Area | 107.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 491.1198 |
| Heavy Atoms | 34 |
| Complexity | 1450.0604 |
Chemical Identifiers
| CAS Number | 694466-52-9 |
|---|---|
| SMILES | CC(C)N1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=NN=C(S4)COC5=CC=CC=C5 |
Product Overview
N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide (CAS 694466-52-9), with molecular formula C23H21N7O2S2 and molecular weight 491.12 g/mol. IUPAC: N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Property Insights of N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
The XLogP value of 4.7217 indicates that N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.71 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide. Following Lipinski's Rule of Five, N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide has 1 hydrogen bond donor(s) and 9 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 N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide?
The CAS number of N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide is 694466-52-9.
What is the molecular formula of N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide?
The molecular formula of N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide is C23H21N7O2S2.
What is the molecular weight of N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide?
The molecular weight of N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide is 491.12 g/mol.
Where can I buy N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide?
You can request a quote for N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.