3-(4-chloro-2-nitro-5-pyrrol-1-ylphenyl)sulfanyl-1H-1,2,4-triazol-5-amine
TL;DR: 3-(4-chloro-2-nitro-5-pyrrol-1-ylphenyl)sulfanyl-1H-1,2,4-triazol-5-amine (CAS 302901-13-9) is a chemical compound with molecular formula C12H9ClN6O2S and molecular weight 336.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chloro-2-nitro-5-pyrrol-1-ylphenyl)sulfanyl-1H-1,2,4-triazol-5-amine
Also Known As: Maybridge1_006604, EX-A4166, 3-(4-chloro-2-nitro-5-pyrrol-1-ylphenyl)sulfanyl-1H-1,2,4-triazol-5-amine, RH 01687, RH01687?
| Molecular Formula | C12H9ClN6O2S |
|---|---|
| Molecular Weight | 336.02 g/mol |
| LogP | 2.8904 |
| Topological Polar Surface Area | 115.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.01962 |
| Heavy Atoms | 22 |
| Complexity | 832.2665 |
Chemical Identifiers
| CAS Number | 302901-13-9 |
|---|---|
| SMILES | C1=CN(C=C1)C2=CC(=C(C=C2Cl)[N+](=O)[O-])SC3=NNC(=N3)N |
Product Overview
3-(4-chloro-2-nitro-5-pyrrol-1-ylphenyl)sulfanyl-1H-1,2,4-triazol-5-amine (CAS 302901-13-9), with molecular formula C12H9ClN6O2S and molecular weight 336.02 g/mol. IUPAC: 3-(4-chloro-2-nitro-5-pyrrol-1-ylphenyl)sulfanyl-1H-1,2,4-triazol-5-amine.
Chemical Property Profile of 3-(4-chloro-2-nitro-5-pyrrol-1-ylphenyl)sulfanyl-1H-1,2,4-triazol-5-amine
Property Insights of 3-(4-chloro-2-nitro-5-pyrrol-1-ylphenyl)sulfanyl-1H-1,2,4-triazol-5-amine
The XLogP value of 2.8904 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-chloro-2-nitro-5-pyrrol-1-ylphenyl)sulfanyl-1H-1,2,4-triazol-5-amine. The TPSA of 115.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-chloro-2-nitro-5-pyrrol-1-ylphenyl)sulfanyl-1H-1,2,4-triazol-5-amine. Following Lipinski's Rule of Five, 3-(4-chloro-2-nitro-5-pyrrol-1-ylphenyl)sulfanyl-1H-1,2,4-triazol-5-amine has 2 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 3-(4-chloro-2-nitro-5-pyrrol-1-ylphenyl)sulfanyl-1H-1,2,4-triazol-5-amine?
The CAS number of 3-(4-chloro-2-nitro-5-pyrrol-1-ylphenyl)sulfanyl-1H-1,2,4-triazol-5-amine is 302901-13-9.
What is the molecular formula of 3-(4-chloro-2-nitro-5-pyrrol-1-ylphenyl)sulfanyl-1H-1,2,4-triazol-5-amine?
The molecular formula of 3-(4-chloro-2-nitro-5-pyrrol-1-ylphenyl)sulfanyl-1H-1,2,4-triazol-5-amine is C12H9ClN6O2S.
What is the molecular weight of 3-(4-chloro-2-nitro-5-pyrrol-1-ylphenyl)sulfanyl-1H-1,2,4-triazol-5-amine?
The molecular weight of 3-(4-chloro-2-nitro-5-pyrrol-1-ylphenyl)sulfanyl-1H-1,2,4-triazol-5-amine is 336.02 g/mol.
Where can I buy 3-(4-chloro-2-nitro-5-pyrrol-1-ylphenyl)sulfanyl-1H-1,2,4-triazol-5-amine?
You can request a quote for 3-(4-chloro-2-nitro-5-pyrrol-1-ylphenyl)sulfanyl-1H-1,2,4-triazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-chloro-2-nitro-5-pyrrol-1-ylphenyl)sulfanyl-1H-1,2,4-triazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chloro-2-nitro-5-pyrrol-1-ylphenyl)sulfanyl-1H-1,2,4-triazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.