![4-Chloro-2-[(1,2,4-triazol-4-ylamino)methyl]phenol structure](/static/products/7369/736941-80-3.webp)
4-Chloro-2-[(1,2,4-triazol-4-ylamino)methyl]phenol
TL;DR: 4-Chloro-2-[(1,2,4-triazol-4-ylamino)methyl]phenol (CAS 736941-80-3) is a chemical compound with molecular formula C9H9ClN4O and molecular weight 224.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-[(1,2,4-triazol-4-ylamino)methyl]phenol
Also Known As: BAS 05346688, 2-(((4H-1,2,4-triazol-4-yl)amino)methyl)-4-chlorophenol, 4-chloro-2-[(1,2,4-triazol-4-ylamino)methyl]phenol, 4-chloro-2-[(4H-1,2,4-triazol-4-ylamino)methyl]phenol, 4-Chloro-2-([1,2,4]triazol-4-ylaminomethyl)-phenol
| Molecular Formula | C9H9ClN4O |
|---|---|
| Molecular Weight | 224.05 g/mol |
| LogP | 1.3808 |
| Topological Polar Surface Area | 62.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.0465 |
| Heavy Atoms | 15 |
| Complexity | 443.37793 |
Chemical Identifiers
| CAS Number | 736941-80-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)CNN2C=NN=C2)O |
Product Overview
4-Chloro-2-[(1,2,4-triazol-4-ylamino)methyl]phenol (CAS 736941-80-3), with molecular formula C9H9ClN4O and molecular weight 224.05 g/mol. IUPAC: 4-chloro-2-[(1,2,4-triazol-4-ylamino)methyl]phenol.
Chemical Property Profile of 4-Chloro-2-[(1,2,4-triazol-4-ylamino)methyl]phenol
Property Insights of 4-Chloro-2-[(1,2,4-triazol-4-ylamino)methyl]phenol
The XLogP value of 1.3808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-[(1,2,4-triazol-4-ylamino)methyl]phenol. The TPSA of 62.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-2-[(1,2,4-triazol-4-ylamino)methyl]phenol. Following Lipinski's Rule of Five, 4-Chloro-2-[(1,2,4-triazol-4-ylamino)methyl]phenol has 2 hydrogen bond donor(s) and 4 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 4-Chloro-2-[(1,2,4-triazol-4-ylamino)methyl]phenol?
The CAS number of 4-Chloro-2-[(1,2,4-triazol-4-ylamino)methyl]phenol is 736941-80-3.
What is the molecular formula of 4-Chloro-2-[(1,2,4-triazol-4-ylamino)methyl]phenol?
The molecular formula of 4-Chloro-2-[(1,2,4-triazol-4-ylamino)methyl]phenol is C9H9ClN4O.
What is the molecular weight of 4-Chloro-2-[(1,2,4-triazol-4-ylamino)methyl]phenol?
The molecular weight of 4-Chloro-2-[(1,2,4-triazol-4-ylamino)methyl]phenol is 224.05 g/mol.
Where can I buy 4-Chloro-2-[(1,2,4-triazol-4-ylamino)methyl]phenol?
You can request a quote for 4-Chloro-2-[(1,2,4-triazol-4-ylamino)methyl]phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-[(1,2,4-triazol-4-ylamino)methyl]phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-[(1,2,4-triazol-4-ylamino)methyl]phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.