3',4'-Dichloroglutaranilic acid
TL;DR: 3',4'-Dichloroglutaranilic acid (CAS 157101-38-7) is a chemical compound with molecular formula C11H11Cl2NO3 and molecular weight 275.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,4-dichloroanilino)-5-oxopentanoic acid
Also Known As: CBKinase1_000070, CBKinase1_012470, 4-[(3,4-dichlorophenyl)carbamoyl]butanoic acid, 5-(3,4-dichloroanilino)-5-oxopentanoic acid, 3',4'-DICHLOROGLUTARANILIC ACID
| Molecular Formula | C11H11Cl2NO3 |
|---|---|
| Molecular Weight | 275.01 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.0116 |
| Heavy Atoms | 17 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 157101-38-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC(=O)CCCC(=O)O)Cl)Cl |
| InChIKey | IBDMYGUEQMQTEN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3',4'-Dichloroglutaranilic acid (CAS 157101-38-7), with molecular formula C11H11Cl2NO3 and molecular weight 275.01 g/mol. IUPAC: 5-(3,4-dichloroanilino)-5-oxopentanoic acid.
Chemical Property Profile of 3',4'-Dichloroglutaranilic acid
Property Insights of 3',4'-Dichloroglutaranilic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3',4'-Dichloroglutaranilic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3',4'-Dichloroglutaranilic acid. Following Lipinski's Rule of Five, 3',4'-Dichloroglutaranilic acid 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 3',4'-Dichloroglutaranilic acid?
The CAS number of 3',4'-Dichloroglutaranilic acid is 157101-38-7.
What is the molecular formula of 3',4'-Dichloroglutaranilic acid?
The molecular formula of 3',4'-Dichloroglutaranilic acid is C11H11Cl2NO3.
What is the molecular weight of 3',4'-Dichloroglutaranilic acid?
The molecular weight of 3',4'-Dichloroglutaranilic acid is 275.01 g/mol.
Where can I buy 3',4'-Dichloroglutaranilic acid?
You can request a quote for 3',4'-Dichloroglutaranilic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3',4'-Dichloroglutaranilic acid?
Yes, KEHONG BIO provides custom synthesis services for 3',4'-Dichloroglutaranilic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.