Benzoic acid, p-amino-, 2-(1-methylheptylamino)ethyl ester, sulfamate
TL;DR: Benzoic acid, p-amino-, 2-(1-methylheptylamino)ethyl ester, sulfamate (CAS 69781-31-3) is a chemical compound with molecular formula C17H31N3O5S and molecular weight 389.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-aminobenzoyl)oxyethyl-octan-2-ylazanium sulfamate
Also Known As: p-Aminobenzoic acid 2-(1-methylheptylamino)ethyl ester sulfamate, BENZOIC ACID, p-AMINO-, 2-(1-METHYLHEPTYLAMINO)ETHYL ESTER, SULFAMATE, 2-(4-aminobenzoyl)oxyethyl-octan-2-ylazanium sulfamate, 2-(Octan-2-ylamino)ethyl 4-aminobenzoate;sulfamic acid, RefChem:1079282
| Molecular Formula | C17H31N3O5S |
|---|---|
| Molecular Weight | 389.20 g/mol |
| LogP | 0.75 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 389.19846 |
| Heavy Atoms | 26 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 69781-31-3 |
|---|---|
| SMILES | CCCCCCC(C)[NH2+]CCOC(=O)C1=CC=C(C=C1)N.NS(=O)(=O)[O-] |
| InChIKey | LUUYXBOUTZPJPJ-UHFFFAOYSA-N |
Product Overview
Benzoic acid, p-amino-, 2-(1-methylheptylamino)ethyl ester, sulfamate (CAS 69781-31-3), with molecular formula C17H31N3O5S and molecular weight 389.20 g/mol. IUPAC: 2-(4-aminobenzoyl)oxyethyl-octan-2-ylazanium sulfamate.
Chemical Property Profile of Benzoic acid, p-amino-, 2-(1-methylheptylamino)ethyl ester, sulfamate
Property Insights of Benzoic acid, p-amino-, 2-(1-methylheptylamino)ethyl ester, sulfamate
The XLogP value of 0.75 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, p-amino-, 2-(1-methylheptylamino)ethyl ester, sulfamate. The TPSA of 161.0 Ų indicates high polarity, suggesting Benzoic acid, p-amino-, 2-(1-methylheptylamino)ethyl ester, sulfamate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzoic acid, p-amino-, 2-(1-methylheptylamino)ethyl ester, sulfamate has 3 hydrogen bond donor(s) and 7 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 Benzoic acid, p-amino-, 2-(1-methylheptylamino)ethyl ester, sulfamate?
The CAS number of Benzoic acid, p-amino-, 2-(1-methylheptylamino)ethyl ester, sulfamate is 69781-31-3.
What is the molecular formula of Benzoic acid, p-amino-, 2-(1-methylheptylamino)ethyl ester, sulfamate?
The molecular formula of Benzoic acid, p-amino-, 2-(1-methylheptylamino)ethyl ester, sulfamate is C17H31N3O5S.
What is the molecular weight of Benzoic acid, p-amino-, 2-(1-methylheptylamino)ethyl ester, sulfamate?
The molecular weight of Benzoic acid, p-amino-, 2-(1-methylheptylamino)ethyl ester, sulfamate is 389.20 g/mol.
Where can I buy Benzoic acid, p-amino-, 2-(1-methylheptylamino)ethyl ester, sulfamate?
You can request a quote for Benzoic acid, p-amino-, 2-(1-methylheptylamino)ethyl ester, sulfamate 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-methylheptylamino)ethyl ester, sulfamate?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, p-amino-, 2-(1-methylheptylamino)ethyl ester, sulfamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.