Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, d-tartrate (2:1)
TL;DR: Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, d-tartrate (2:1) (CAS 67031-53-2) is a chemical compound with molecular formula C38H62N4O10 and molecular weight 734.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R)-2,3-dihydroxybutanedioic acid;bis(2-(octan-2-ylamino)ethyl 4-aminobenzoate)
Also Known As: C17H28N2O2.1/2C4H6O6, p-Aminobenzoic acid 2-((1-methylheptyl)amino)ethyl ester d-tartrate (2:1), C17-H28-N2-O2.1/2C4-H6-O6, BENZOIC ACID, p-AMINO-, 2-((1-METHYLHEPTYL)AMINO)ETHYL ESTER, d-TARTRATE (2:1), (2R,3R)-2,3-Dihydroxybutanedioic acid--2-[(octan-2-yl)amino]ethyl 4-aminobenzoate (1/2)
| Molecular Formula | C38H62N4O10 |
|---|---|
| Molecular Weight | 734.45 g/mol |
| LogP | 4.63 |
| Topological Polar Surface Area | 244.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 25 |
| Exact Mass | 734.4466 |
| Heavy Atoms | 52 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 67031-53-2 |
|---|---|
| SMILES | CCCCCCC(C)NCCOC(=O)C1=CC=C(C=C1)N.CCCCCCC(C)NCCOC(=O)C1=CC=C(C=C1)N.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O |
| InChIKey | WWCYPMNHJGJRCG-CEAXSRTFSA-N |
Product Overview
Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, d-tartrate (2:1) (CAS 67031-53-2), with molecular formula C38H62N4O10 and molecular weight 734.45 g/mol. IUPAC: (2R,3R)-2,3-dihydroxybutanedioic acid;bis(2-(octan-2-ylamino)ethyl 4-aminobenzoate).
Chemical Property Profile of Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, d-tartrate (2:1)
Property Insights of Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, d-tartrate (2:1)
The XLogP value of 4.63 indicates that Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, d-tartrate (2:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 244.0 Ų indicates high polarity, suggesting Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, d-tartrate (2:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, d-tartrate (2:1) has 8 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, d-tartrate (2:1)?
The CAS number of Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, d-tartrate (2:1) is 67031-53-2.
What is the molecular formula of Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, d-tartrate (2:1)?
The molecular formula of Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, d-tartrate (2:1) is C38H62N4O10.
What is the molecular weight of Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, d-tartrate (2:1)?
The molecular weight of Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, d-tartrate (2:1) is 734.45 g/mol.
Where can I buy Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, d-tartrate (2:1)?
You can request a quote for Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, d-tartrate (2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, d-tartrate (2:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, d-tartrate (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.