Benzoic acid;3-hexoxypropan-1-amine
TL;DR: Benzoic acid;3-hexoxypropan-1-amine (CAS 68478-48-8) is a chemical compound with molecular formula C16H27NO3 and molecular weight 281.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzoic acid;3-hexoxypropan-1-amine
Also Known As: 3-Hexyloxypropylamine, benzoate, 3-(hexyloxy)propan-1-amine benzoate(1:1), benzoic acid; 3-hexoxypropan-1-amine, Benzoic acid, compds. with 3-(branched and linear hexyloxy)-1-propanamine
| Molecular Formula | C16H27NO3 |
|---|---|
| Molecular Weight | 281.20 g/mol |
| LogP | 3.32 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 281.1991 |
| Heavy Atoms | 20 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 68478-48-8 |
|---|---|
| SMILES | CCCCCCOCCCN.C1=CC=C(C=C1)C(=O)O |
| InChIKey | QPJIHNRQHTUXQX-UHFFFAOYSA-N |
Product Overview
Benzoic acid;3-hexoxypropan-1-amine (CAS 68478-48-8), with molecular formula C16H27NO3 and molecular weight 281.20 g/mol. IUPAC: benzoic acid;3-hexoxypropan-1-amine.
Chemical Property Profile of Benzoic acid;3-hexoxypropan-1-amine
Property Insights of Benzoic acid;3-hexoxypropan-1-amine
The XLogP value of 3.32 indicates that Benzoic acid;3-hexoxypropan-1-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid;3-hexoxypropan-1-amine. Following Lipinski's Rule of Five, Benzoic acid;3-hexoxypropan-1-amine 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
Frequently Asked Questions
What is the CAS number of Benzoic acid;3-hexoxypropan-1-amine?
The CAS number of Benzoic acid;3-hexoxypropan-1-amine is 68478-48-8.
What is the molecular formula of Benzoic acid;3-hexoxypropan-1-amine?
The molecular formula of Benzoic acid;3-hexoxypropan-1-amine is C16H27NO3.
What is the molecular weight of Benzoic acid;3-hexoxypropan-1-amine?
The molecular weight of Benzoic acid;3-hexoxypropan-1-amine is 281.20 g/mol.
Where can I buy Benzoic acid;3-hexoxypropan-1-amine?
You can request a quote for Benzoic acid;3-hexoxypropan-1-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid;3-hexoxypropan-1-amine?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid;3-hexoxypropan-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.