C22H27N5OS
TL;DR: C22H27N5OS (CAS 680201-29-0) is a chemical compound with molecular formula C22H27N5OS and molecular weight 409.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((4-(diethylamino)benzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-({(E)-[4-(DIETHYLAMINO)PHENYL]METHYLIDENE}AMINO)-5-(3-ISOPROPOXYPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL, 4-({(E)-[4-(diethylamino)phenyl]methylidene}amino)-5-[3-(propan-2-yloxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-{(1E)-2-[4-(diethylamino)phenyl]-1-azavinyl}-5-[3-(methylethoxy)phenyl]-1,2, 4-triazole-3-thiol
| Molecular Formula | C22H27N5OS |
|---|---|
| Molecular Weight | 409.19 g/mol |
| LogP | 5.12329 |
| Topological Polar Surface Area | 58.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 409.19363 |
| Heavy Atoms | 29 |
| Complexity | 1016.18195 |
Chemical Identifiers
| CAS Number | 680201-29-0 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC(=CC=C3)OC(C)C |
Product Overview
C22H27N5OS (CAS 680201-29-0), with molecular formula C22H27N5OS and molecular weight 409.19 g/mol. IUPAC: 4-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of C22H27N5OS
Property Insights of C22H27N5OS
The XLogP value of 5.12329 indicates that C22H27N5OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.44 Ų, C22H27N5OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C22H27N5OS has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C22H27N5OS?
The CAS number of C22H27N5OS is 680201-29-0.
What is the molecular formula of C22H27N5OS?
The molecular formula of C22H27N5OS is C22H27N5OS.
What is the molecular weight of C22H27N5OS?
The molecular weight of C22H27N5OS is 409.19 g/mol.
Where can I buy C22H27N5OS?
You can request a quote for C22H27N5OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H27N5OS?
Yes, KEHONG BIO provides custom synthesis services for C22H27N5OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.