VU0609349-1
TL;DR: VU0609349-1 (CAS 904817-53-4) is a chemical compound with molecular formula C18H14ClN5OS and molecular weight 383.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[[1-(2-chloro-5-methylphenyl)-5-methyltriazole-4-carbonyl]amino]phenyl] thiocyanate
Also Known As: VU0609349-1, F3296-0512, 1-(2-chloro-5-methylphenyl)-5-methyl-N-(4-thiocyanatophenyl)-1H-1,2,3-triazole-4-carboxamide, 1-(2-chloro-5-methylphenyl)-N-[4-(cyanosulfanyl)phenyl]-5-methyl-1H-1,2,3-triazole-4-carboxamide, [4-[[1-(2-chloro-5-methylphenyl)-5-methyltriazole-4-carbonyl]amino]phenyl] thiocyanate
| Molecular Formula | C18H14ClN5OS |
|---|---|
| Molecular Weight | 383.06 g/mol |
| LogP | 4.36302 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.06076 |
| Heavy Atoms | 26 |
| Complexity | 1007.4112 |
Chemical Identifiers
| CAS Number | 904817-53-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)Cl)N2C(=C(N=N2)C(=O)NC3=CC=C(C=C3)SC#N)C |
Product Overview
VU0609349-1 (CAS 904817-53-4), with molecular formula C18H14ClN5OS and molecular weight 383.06 g/mol. IUPAC: [4-[[1-(2-chloro-5-methylphenyl)-5-methyltriazole-4-carbonyl]amino]phenyl] thiocyanate.
Chemical Property Profile of VU0609349-1
Property Insights of VU0609349-1
The XLogP value of 4.36302 indicates that VU0609349-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0609349-1. Following Lipinski's Rule of Five, VU0609349-1 has 1 hydrogen bond donor(s) and 5 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 VU0609349-1?
The CAS number of VU0609349-1 is 904817-53-4.
What is the molecular formula of VU0609349-1?
The molecular formula of VU0609349-1 is C18H14ClN5OS.
What is the molecular weight of VU0609349-1?
The molecular weight of VU0609349-1 is 383.06 g/mol.
Where can I buy VU0609349-1?
You can request a quote for VU0609349-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0609349-1?
Yes, KEHONG BIO provides custom synthesis services for VU0609349-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.