5-Amino-6-Chloro-o-Cresol
TL;DR: 5-Amino-6-Chloro-o-Cresol (CAS 84540-50-1) is a chemical compound with molecular formula C7H8ClNO and molecular weight 157.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-2-chloro-6-methylphenol
Also Known As: 5-Amino-6-chloro-o-cresol, 3-amino-2-chloro-6-methylphenol, mesna, 3-Amino-2-chlor-6-methylphenol, 2-Methyl-5-Amino-6-Chlorophenol
| Molecular Formula | C7H8ClNO |
|---|---|
| Molecular Weight | 157.03 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 46.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 157.02943 |
| Heavy Atoms | 10 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 84540-50-1 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)N)Cl)O |
| InChIKey | XYRDGCCCBJITBH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Amino-6-Chloro-o-Cresol (CAS 84540-50-1), with molecular formula C7H8ClNO and molecular weight 157.03 g/mol. IUPAC: 3-amino-2-chloro-6-methylphenol.
Chemical Property Profile of 5-Amino-6-Chloro-o-Cresol
Property Insights of 5-Amino-6-Chloro-o-Cresol
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-6-Chloro-o-Cresol. With a topological polar surface area (TPSA) of 46.3 Ų, 5-Amino-6-Chloro-o-Cresol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Amino-6-Chloro-o-Cresol has 2 hydrogen bond donor(s) and 2 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 5-Amino-6-Chloro-o-Cresol?
The CAS number of 5-Amino-6-Chloro-o-Cresol is 84540-50-1.
What is the molecular formula of 5-Amino-6-Chloro-o-Cresol?
The molecular formula of 5-Amino-6-Chloro-o-Cresol is C7H8ClNO.
What is the molecular weight of 5-Amino-6-Chloro-o-Cresol?
The molecular weight of 5-Amino-6-Chloro-o-Cresol is 157.03 g/mol.
Where can I buy 5-Amino-6-Chloro-o-Cresol?
You can request a quote for 5-Amino-6-Chloro-o-Cresol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-6-Chloro-o-Cresol?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-6-Chloro-o-Cresol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.