1,3-Benzenedicarboxylic acid, 5-(octadecylamino)-, 1,3-dimethyl ester
TL;DR: 1,3-Benzenedicarboxylic acid, 5-(octadecylamino)-, 1,3-dimethyl ester (CAS 63217-37-8) is a chemical compound with molecular formula C28H47NO4 and molecular weight 461.3505 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl 5-(octadecylamino)benzene-1,3-dicarboxylate
Also Known As: Dimethyl 5-(stearylamino)isophthalate, dimethyl 5-(octadecylamino)isophthalate, dimethyl 5-octadecylaminoisophthalate, Dimethyl 5-(octadecylamino)-1,3-benzenedicarboxylate, dimethyl 5-(octadecylamino)benzene-1,3-dicarboxylate
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C28H47NO4 |
| Molecular Weight | 461.3505 g/mol |
| XLogP | 10.4 |
| Topological Polar Surface Area (TPSA) | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 22 |
| Exact Mass | 461.3505 Da |
| Heavy Atoms | 33 |
| Complexity | 472.0 |
| SMILES | CCCCCCCCCCCCCCCCCCNC1=CC(=CC(=C1)C(=O)OC)C(=O)OC |
| InChIKey | MSEHBOQBRYAONO-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Benzenedicarboxylic acid, 5-(octadecylamino)-, 1,3-dimethyl ester
Property Insights of 1,3-Benzenedicarboxylic acid, 5-(octadecylamino)-, 1,3-dimethyl ester
The XLogP value of 10.4 indicates that 1,3-Benzenedicarboxylic acid, 5-(octadecylamino)-, 1,3-dimethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzenedicarboxylic acid, 5-(octadecylamino)-, 1,3-dimethyl ester. Following Lipinski's Rule of Five, 1,3-Benzenedicarboxylic acid, 5-(octadecylamino)-, 1,3-dimethyl ester has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1,3-Benzenedicarboxylic acid, 5-(octadecylamino)-, 1,3-dimethyl ester?
The CAS number of 1,3-Benzenedicarboxylic acid, 5-(octadecylamino)-, 1,3-dimethyl ester is 63217-37-8.
What is the molecular formula of 1,3-Benzenedicarboxylic acid, 5-(octadecylamino)-, 1,3-dimethyl ester?
The molecular formula of 1,3-Benzenedicarboxylic acid, 5-(octadecylamino)-, 1,3-dimethyl ester is C28H47NO4.
What is the molecular weight of 1,3-Benzenedicarboxylic acid, 5-(octadecylamino)-, 1,3-dimethyl ester?
The molecular weight of 1,3-Benzenedicarboxylic acid, 5-(octadecylamino)-, 1,3-dimethyl ester is 461.3505 g/mol.
Where can I buy 1,3-Benzenedicarboxylic acid, 5-(octadecylamino)-, 1,3-dimethyl ester?
You can request a quote for 1,3-Benzenedicarboxylic acid, 5-(octadecylamino)-, 1,3-dimethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Benzenedicarboxylic acid, 5-(octadecylamino)-, 1,3-dimethyl ester?
Yes, CoreyChem provides custom synthesis services for 1,3-Benzenedicarboxylic acid, 5-(octadecylamino)-, 1,3-dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.