Benzoic acid, 3,5-diamino-4-chloro-, 2-methylpropyl ester
TL;DR: Benzoic acid, 3,5-diamino-4-chloro-, 2-methylpropyl ester (CAS 32961-44-7) is a chemical compound with molecular formula C11H15ClN2O2 and molecular weight 242.0822 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylpropyl 3,5-diamino-4-chlorobenzoate
Also Known As: Isobutyl 3,5-diamino-4-chlorobenzoate, Isobutyl 4-chloro-3,5-diaminobenzoate, 2-methylpropyl 3,5-diamino-4-chlorobenzoate, Benzoic acid, 3,5-diamino-4-chloro-, 2-methylpropyl ester, isobutyl 3,5-diamino-4-chloro benzoate
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H15ClN2O2 |
| Molecular Weight | 242.0822 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 78.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.0822 Da |
| Heavy Atoms | 16 |
| Complexity | 236.0 |
| SMILES | CC(C)COC(=O)C1=CC(=C(C(=C1)N)Cl)N |
| InChIKey | KHUIRIRTZCOEMK-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 3,5-diamino-4-chloro-, 2-methylpropyl ester
Property Insights of Benzoic acid, 3,5-diamino-4-chloro-, 2-methylpropyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3,5-diamino-4-chloro-, 2-methylpropyl ester. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3,5-diamino-4-chloro-, 2-methylpropyl ester. Following Lipinski's Rule of Five, Benzoic acid, 3,5-diamino-4-chloro-, 2-methylpropyl ester has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 3,5-diamino-4-chloro-, 2-methylpropyl ester?
The CAS number of Benzoic acid, 3,5-diamino-4-chloro-, 2-methylpropyl ester is 32961-44-7.
What is the molecular formula of Benzoic acid, 3,5-diamino-4-chloro-, 2-methylpropyl ester?
The molecular formula of Benzoic acid, 3,5-diamino-4-chloro-, 2-methylpropyl ester is C11H15ClN2O2.
What is the molecular weight of Benzoic acid, 3,5-diamino-4-chloro-, 2-methylpropyl ester?
The molecular weight of Benzoic acid, 3,5-diamino-4-chloro-, 2-methylpropyl ester is 242.0822 g/mol.
Where can I buy Benzoic acid, 3,5-diamino-4-chloro-, 2-methylpropyl ester?
You can request a quote for Benzoic acid, 3,5-diamino-4-chloro-, 2-methylpropyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 3,5-diamino-4-chloro-, 2-methylpropyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 3,5-diamino-4-chloro-, 2-methylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.