m-Toluidine, alpha-methoxy-4-(octyloxy)-, hydrochloride
TL;DR: m-Toluidine, alpha-methoxy-4-(octyloxy)-, hydrochloride (CAS 5804-05-7) is a chemical compound with molecular formula C16H28ClNO2 and molecular weight 301.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(methoxymethyl)-4-octoxyaniline;hydrochloride
Also Known As: starbld0037079, m-Toluidine, alpha-methoxy-4-(octyloxy)-, hydrochloride, 3-(methoxymethyl)-4-octoxyaniline;hydrochloride, alpha-Methoxy-4-(octyloxy)-m-toluidine hydrochloride, 3-(Methoxymethyl)-4-(octyloxy)aniline hydrochloride
| Molecular Formula | C16H28ClNO2 |
|---|---|
| Molecular Weight | 301.18 g/mol |
| LogP | 4.5763 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 301.18085 |
| Heavy Atoms | 20 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 5804-05-7 |
|---|---|
| SMILES | CCCCCCCCOC1=C(C=C(C=C1)N)COC.Cl |
| InChIKey | DSBQHPYCEAPGDM-UHFFFAOYSA-N |
Product Overview
m-Toluidine, alpha-methoxy-4-(octyloxy)-, hydrochloride (CAS 5804-05-7), with molecular formula C16H28ClNO2 and molecular weight 301.18 g/mol. IUPAC: 3-(methoxymethyl)-4-octoxyaniline;hydrochloride.
Chemical Property Profile of m-Toluidine, alpha-methoxy-4-(octyloxy)-, hydrochloride
Property Insights of m-Toluidine, alpha-methoxy-4-(octyloxy)-, hydrochloride
The XLogP value of 4.5763 indicates that m-Toluidine, alpha-methoxy-4-(octyloxy)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.5 Ų, m-Toluidine, alpha-methoxy-4-(octyloxy)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, m-Toluidine, alpha-methoxy-4-(octyloxy)-, hydrochloride has 2 hydrogen bond donor(s) and 3 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 m-Toluidine, alpha-methoxy-4-(octyloxy)-, hydrochloride?
The CAS number of m-Toluidine, alpha-methoxy-4-(octyloxy)-, hydrochloride is 5804-05-7.
What is the molecular formula of m-Toluidine, alpha-methoxy-4-(octyloxy)-, hydrochloride?
The molecular formula of m-Toluidine, alpha-methoxy-4-(octyloxy)-, hydrochloride is C16H28ClNO2.
What is the molecular weight of m-Toluidine, alpha-methoxy-4-(octyloxy)-, hydrochloride?
The molecular weight of m-Toluidine, alpha-methoxy-4-(octyloxy)-, hydrochloride is 301.18 g/mol.
Where can I buy m-Toluidine, alpha-methoxy-4-(octyloxy)-, hydrochloride?
You can request a quote for m-Toluidine, alpha-methoxy-4-(octyloxy)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-Toluidine, alpha-methoxy-4-(octyloxy)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for m-Toluidine, alpha-methoxy-4-(octyloxy)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.