Alpha-(3-chloro-para-toluidino)-ortho-cresol
TL;DR: Alpha-(3-chloro-para-toluidino)-ortho-cresol (CAS 84474-01-1) is a chemical compound with molecular formula C14H14ClNO and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-chloro-4-methylanilino)methyl]phenol
Also Known As: 2-{[(3-chloro-4-methylphenyl)amino]methyl}phenol, 2-[(3-chloro-4-methylanilino)methyl]phenol, 2-(((3-Chloro-4-methylphenyl)amino)methyl)phenol, 2-[(3-chloro-4-methyl-anilino)methyl]phenol, ALPHA-(3-CHLORO-PARA-TOLUIDINO)-ORTHO-CRESOL
| Molecular Formula | C14H14ClNO |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 3.96612 |
| Topological Polar Surface Area | 32.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.07639 |
| Heavy Atoms | 17 |
| Complexity | 525.3807 |
Chemical Identifiers
| CAS Number | 84474-01-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NCC2=CC=CC=C2O)Cl |
Product Overview
Alpha-(3-chloro-para-toluidino)-ortho-cresol (CAS 84474-01-1), with molecular formula C14H14ClNO and molecular weight 247.08 g/mol. IUPAC: 2-[(3-chloro-4-methylanilino)methyl]phenol.
Chemical Property Profile of Alpha-(3-chloro-para-toluidino)-ortho-cresol
Property Insights of Alpha-(3-chloro-para-toluidino)-ortho-cresol
The XLogP value of 3.96612 indicates that Alpha-(3-chloro-para-toluidino)-ortho-cresol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.26 Ų, Alpha-(3-chloro-para-toluidino)-ortho-cresol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Alpha-(3-chloro-para-toluidino)-ortho-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 Alpha-(3-chloro-para-toluidino)-ortho-cresol?
The CAS number of Alpha-(3-chloro-para-toluidino)-ortho-cresol is 84474-01-1.
What is the molecular formula of Alpha-(3-chloro-para-toluidino)-ortho-cresol?
The molecular formula of Alpha-(3-chloro-para-toluidino)-ortho-cresol is C14H14ClNO.
What is the molecular weight of Alpha-(3-chloro-para-toluidino)-ortho-cresol?
The molecular weight of Alpha-(3-chloro-para-toluidino)-ortho-cresol is 247.08 g/mol.
Where can I buy Alpha-(3-chloro-para-toluidino)-ortho-cresol?
You can request a quote for Alpha-(3-chloro-para-toluidino)-ortho-cresol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alpha-(3-chloro-para-toluidino)-ortho-cresol?
Yes, KEHONG BIO provides custom synthesis services for Alpha-(3-chloro-para-toluidino)-ortho-cresol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.