Cambridge id 5899503
TL;DR: Cambridge id 5899503 (CAS 5899-50-3) is a chemical compound with molecular formula C14H16BrN5OS and molecular weight 381.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
Also Known As: BAS 01176989, BIM-0036266.P001, AB00100398-01, 2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide, 2-{[5-(4-bromophenyl)-4-(2-methyl-2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio}acetohydrazide
| Molecular Formula | C14H16BrN5OS |
|---|---|
| Molecular Weight | 381.03 g/mol |
| LogP | 2.3657 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.02588 |
| Heavy Atoms | 22 |
| Complexity | 683.0417 |
Chemical Identifiers
| CAS Number | 5899-50-3 |
|---|---|
| SMILES | CC(=C)CN1C(=NN=C1SCC(=O)NN)C2=CC=C(C=C2)Br |
Product Overview
Cambridge id 5899503 (CAS 5899-50-3), with molecular formula C14H16BrN5OS and molecular weight 381.03 g/mol. IUPAC: 2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide.
Chemical Property Profile of Cambridge id 5899503
Property Insights of Cambridge id 5899503
The XLogP value of 2.3657 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cambridge id 5899503. The TPSA of 85.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Cambridge id 5899503. Following Lipinski's Rule of Five, Cambridge id 5899503 has 2 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 Cambridge id 5899503?
The CAS number of Cambridge id 5899503 is 5899-50-3.
What is the molecular formula of Cambridge id 5899503?
The molecular formula of Cambridge id 5899503 is C14H16BrN5OS.
What is the molecular weight of Cambridge id 5899503?
The molecular weight of Cambridge id 5899503 is 381.03 g/mol.
Where can I buy Cambridge id 5899503?
You can request a quote for Cambridge id 5899503 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cambridge id 5899503?
Yes, KEHONG BIO provides custom synthesis services for Cambridge id 5899503 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.