4'-氯-2'-甲基邻苯二甲酰苯胺酸
TL;DR: 4'-氯-2'-甲基邻苯二甲酰苯胺酸 (CAS 19368-31-1) is a chemical compound with molecular formula C15H12ClNO3 and molecular weight 289.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4'-氯-2'-甲基邻苯二甲酰苯胺酸
2-[(4-chloro-2-methylphenyl)carbamoyl]benzoic acid
Also Known As: 2-[(4-chloro-2-methylphenyl)carbamoyl]benzoic acid, 4'-CHLORO-2'-METHYLPHTHALANILIC ACID, 667-866-5, RefChem:506036
| Molecular Formula | C15H12ClNO3 |
|---|---|
| Molecular Weight | 289.05 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.05057 |
| Heavy Atoms | 20 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 19368-31-1 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)NC(=O)C2=CC=CC=C2C(=O)O |
| InChIKey | GFWXXEUOKBFFLV-UHFFFAOYSA-N |
Product Overview
4'-氯-2'-甲基邻苯二甲酰苯胺酸 (CAS 19368-31-1), with molecular formula C15H12ClNO3 and molecular weight 289.05 g/mol. IUPAC: 2-[(4-chloro-2-methylphenyl)carbamoyl]benzoic acid.
Chemical Property Profile of 4'-氯-2'-甲基邻苯二甲酰苯胺酸
Property Insights of 4'-氯-2'-甲基邻苯二甲酰苯胺酸
The XLogP value of 3.3 indicates that 4'-氯-2'-甲基邻苯二甲酰苯胺酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-氯-2'-甲基邻苯二甲酰苯胺酸. Following Lipinski's Rule of Five, 4'-氯-2'-甲基邻苯二甲酰苯胺酸 has 2 hydrogen bond donor(s) and 3 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'-氯-2'-甲基邻苯二甲酰苯胺酸?
The CAS number of 4'-氯-2'-甲基邻苯二甲酰苯胺酸 is 19368-31-1.
What is the molecular formula of 4'-氯-2'-甲基邻苯二甲酰苯胺酸?
The molecular formula of 4'-氯-2'-甲基邻苯二甲酰苯胺酸 is C15H12ClNO3.
What is the molecular weight of 4'-氯-2'-甲基邻苯二甲酰苯胺酸?
The molecular weight of 4'-氯-2'-甲基邻苯二甲酰苯胺酸 is 289.05 g/mol.
Where can I buy 4'-氯-2'-甲基邻苯二甲酰苯胺酸?
You can request a quote for 4'-氯-2'-甲基邻苯二甲酰苯胺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-氯-2'-甲基邻苯二甲酰苯胺酸?
Yes, KEHONG BIO provides custom synthesis services for 4'-氯-2'-甲基邻苯二甲酰苯胺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.