RefChem:566105
TL;DR: RefChem:566105 (CAS 7452-52-0) is a chemical compound with molecular formula C27H26ClNO6 and molecular weight 495.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-[2-chloro-4-(diethylamino)phenyl]methyl]-2-hydroxy-3-methylbenzoic acid
Also Known As: C.I. Mordant Violet 28, Benzoic acid, 5-[(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[2-chloro-4-(diethylamino)phenyl]methyl]-2-hydroxy-3-methyl-, 5-[(3-Carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-[2-chloro-4-(diethylamino)phenyl]methyl]-2-hydroxy-3-methylbenzoic acid, 5-[(3-CARBOXY-5-METHYL-4-OXO-2,5-CYCLOHEXADIEN-1-YLIDENE)[2-CHLORO-4-(DIETHYLAMINO)PHENYL]METHYL]-3-METHYLSALICYLIC ACID, 5-[(E)-(3-Carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-[2-chloro-4-(diethylamino)phenyl]methyl]-2-hydroxy-3-methylbenzoic acid
| Molecular Formula | C27H26ClNO6 |
|---|---|
| Molecular Weight | 495.14 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 495.14487 |
| Heavy Atoms | 35 |
| Complexity | 949.0 |
Chemical Identifiers
| CAS Number | 7452-52-0 |
|---|---|
| SMILES | CCN(CC)C1=CC(=C(C=C1)C(=C2C=C(C(=O)C(=C2)C(=O)O)C)C3=CC(=C(C(=C3)C)O)C(=O)O)Cl |
| InChIKey | NLLQYOGZDSLZQG-UHFFFAOYSA-N |
Product Overview
RefChem:566105 (CAS 7452-52-0), with molecular formula C27H26ClNO6 and molecular weight 495.14 g/mol. IUPAC: 5-[(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-[2-chloro-4-(diethylamino)phenyl]methyl]-2-hydroxy-3-methylbenzoic acid.
Chemical Property Profile of RefChem:566105
Property Insights of RefChem:566105
The XLogP value of 6.8 indicates that RefChem:566105 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:566105. Following Lipinski's Rule of Five, RefChem:566105 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:566105?
The CAS number of RefChem:566105 is 7452-52-0.
What is the molecular formula of RefChem:566105?
The molecular formula of RefChem:566105 is C27H26ClNO6.
What is the molecular weight of RefChem:566105?
The molecular weight of RefChem:566105 is 495.14 g/mol.
Where can I buy RefChem:566105?
You can request a quote for RefChem:566105 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:566105?
Yes, KEHONG BIO provides custom synthesis services for RefChem:566105 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.